1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane

HCID 45459CAS 382-26-3

Substructure search Find similar structures

Basic information

Standard SMILES: COC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIKey: AQHKYFLVHBIQMS-UHFFFAOYSA-N
Molecular formula: C5H4F8O
Average molar mass: 232.07 g/mol
Monoisotopic mass: 232.01344051

Names & identifiers

Preferred name: 1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane
IUPAC: 2-[difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane
English name: Octafluoroisobutyl ether methyl
Molecular formula: C5H4F8O
Molecular weight: 0

Names & synonyms

2-[difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane1,1,1,3,3-pentafluoro-3-methoxy-2-(trifluoromethyl)propane2-(Difluoro(methoxy)methyl)-1,1,1,3,3,3-hexafluoropropaneDTXSID40880146EC 609-534-4RefChem:409405DTXCID50136202609-534-4382-26-363919-03-91,1,3,3,3-Pentafluoro-2-trifluoromethylpropyl methyl etherMethyl 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propyl ether

Show more names

OCTAFLUOROISOBUTYLMETHYLETHEROctafluoroisobutyl ether methyl

1,1,1,3,3-Pentafluoro-2-(trifluoromethyl)-4-oxapentaneMFCD00054689Octafluoroisobutyl methyl etherPropane, 2-(difluoromethoxymethyl)-1,1,1,3,3,3-hexafluoro-Methyl 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-propyl etherETHER, METHYL OCTAFLUOROISOBUTYL(CF3)2CHCF2OCH3SCHEMBL1199052

Database identifiers

CAS: 382-26-3、63919-03-9
PubChem CID: 45459
DTXSID: DTXSID40880146
EC Number: 609-534-4
Nikkaji: J27.131D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 177

Experimental & physicochemical properties

PFAS · 5 items

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P318, P320, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.