3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide

HCID 744366CAS 785-74-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIKey
YOTPJLYOOXQHKX-UHFFFAOYSA-N
Molecular formula
C11H10F3NO2
Average molar mass
245.2 g/mol
Monoisotopic mass
245.06636305

Names & identifiers

Preferred name
3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide
IUPAC
3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide
English name
3-Oxo-N-(3-(trifluoromethyl)phenyl)butanamide
Molecular formula
C11H10F3NO2
Molecular weight
245.2

Names & synonyms

785-74-03-oxo-N-[3-(trifluoromethyl)phenyl]butanamide3-Oxo-N-(3-(trifluoromethyl)phenyl)butanamideButanamide,3-oxo-N-[3-(trifluoromethyl)phenyl]-3-Oxo-N-(3-trifluoromethyl-phenyl)-butyramideMFCD00201876CBDivE_003057SCHEMBL9429509SCHEMBL302128943'-trifluoromethylacetoacetanilideDTXSID603535243'-trifluoromethyl acetoacetanilide
Show more names
AKOS B029160AURORA KA-74883-TRIFLUORMETHYLACETO-ACETANILID3-TRIFLUOROMETHYLACETO-ACETANILIDEButanamide, 3-oxo-N-[3-(trifluoromethyl)phenyl]-
SBB023576STK350656AKOS000115168FO88941CS-0218576EU-0066748ST45113214EN300-01414

Database identifiers

CAS
785-74-0
PubChem CID
744366
DTXSID
DTXSID60353524
Nikkaji
J1.472.170C

Properties

Computed structural properties

XLogP
3
Topological polar surface area
46.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
17

Physicochemical properties

Melting point
110 · 110-111 °C
Boiling point
361.1 · 361.1±42.0 °C(Predicted)
Density
1.317 · 1.317±0.06 g/cm3(Predicted)
pka
10.94 · 10.94±0.46(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2924190090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers3 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]

Related reactions

6 records
New reaction record

Linked notes

Loading…