1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one

C12H13F3O — CID 118835917

IUPAC1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCc1cccc(CC(C)=O)c1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-3-9-5-4-6-10(7-8(2)16)11(9)12(13,14)15/h4-6H,3,7H2,1-2H3
InChIKeyQKMVPVZNZGXICB-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.40
Rot. Bonds3

About 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one

1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 118835917) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
PubChem CID118835917
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCc1cccc(CC(C)=O)c1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-3-9-5-4-6-10(7-8(2)16)11(9)12(13,14)15/h4-6H,3,7H2,1-2H3
InChIKeyQKMVPVZNZGXICB-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
3-ethyl-2-(trifluoromethyl)benzoate
CID 53405985
1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
CID 69366475
1-(3-ethyl-2-iodophenyl)propan-2-one
CID 118824514
ethyl 2-[3-methyl-2-(trifluoromethyl)phenyl]acetate
CID 134633126
1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
CID 149400336
ethyl 2-(2-oxopropyl)-6-(trifluoromethyl)benzoate
CID 134640898
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791
2-(2,6-diethylphenyl)propan-2-ol
CID 117283274
4-ethyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119023089
1-[3-fluoro-2-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640681

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one (CID 118835917) is 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one is CCc1cccc(CC(C)=O)c1C(F)(F)F.
What is the InChIKey of 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is QKMVPVZNZGXICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-3-9-5-4-6-10(7-8(2)16)11(9)12(13,14)15/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one?
1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 230.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 118835917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).