1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol

HCID 118191

Basic information

CAS
34844-48-9
Standard SMILES
CC(O)CC(O)(C(F)(F)F)C(F)(F)F
InChIKey
QAJCOMPEAMJMEB-UHFFFAOYSA-N
Molecular formula
C6H8F6O2
Average molar mass
226.12 g/mol
Monoisotopic mass
226.04284847

Names & identifiers

Preferred name
1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol
IUPAC
1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol
English name
1,1,1-Trifluoro-2-trifluoromethylpentane-2,4-diol
Molecular formula
C6H8F6O2
Molecular weight
226.12

Names & synonyms

34844-48-91,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediolRefChem:10516691,1,1-Trifluoro-2-trifluoromethyl-2,4-pentanediol1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diolMFCD017093211,1,1-Trifluoro-2-trifluoromethylpentane-2,4-diolNSC6592562,4-Pentanediol, 1,1,1-trifluoro-2-(trifluoromethyl)-BRN 2244860SCHEMBL878767CHEMBL1983253
Show more names
1,1-Bis(trifluoromethyl)butane-1,3-diol1,1,1-trifluoro-2-trifluoromethyl-2,4-pentyldiol1,1,1-Trifluoro-2-trifluoromethylpentane-2,4-dioldiol1,1,1-Trifluoro-2-(trifluoromethyl)pentane-2,4-diol - [T93993]
DTXSID70956328AKOS022193588GS-0005NSC-659256DA-30507NCI60_020917SY324739CS-0451458

Database identifiers

CAS
34844-48-9
PubChem CID
118191
DTXSID
DTXSID70956328
ChEMBL
CHEMBL1983253
Nikkaji
J65.575I

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Boiling point
191 ℃ · 191℃
Density
1.451 · 1.451
Flash point
69 ℃ · 69℃
storage temp.
2 · Storage temp. 2-8°C
pka
9.55 · 9.55±0.29(Predicted)
Appearance
Colorless to off-white Solid

Chemistry & industry

Suppliers44 total

上海恩氟佳科技有限公司15800445152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
青岛星斓新材料科技有限公司13105195659 13105195659 · [email protected]
上海尚饮思生化医药有限公司021-021-57872719 13761402923 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]

Related reactions

8 records

Compound notes

Loading…