4-[2-(trifluoromethyl)phenyl]butan-2-one

C11H11F3O — CID 11746021

IUPAC4-[2-(trifluoromethyl)phenyl]butan-2-one
SMILESCC(=O)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyFAFLWUBOONFUHF-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.23
Rot. Bonds3

About 4-[2-(trifluoromethyl)phenyl]butan-2-one

4-[2-(trifluoromethyl)phenyl]butan-2-one (PubChem CID 11746021) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]butan-2-one.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]butan-2-one
PubChem CID11746021
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name4-[2-(trifluoromethyl)phenyl]butan-2-one
SMILESCC(=O)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyFAFLWUBOONFUHF-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(trifluoromethyl)phenyl]hexan-3-one
CID 64505702
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 71137112
3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid
CID 84677751
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
CID 82540770
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
4-[2-(trifluoromethyl)phenyl]sulfanylbutan-2-one
CID 151415554
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
CID 69366475
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]butan-2-one?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]butan-2-one (CID 11746021) is 4-[2-(trifluoromethyl)phenyl]butan-2-one.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]butan-2-one?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]butan-2-one is CC(=O)CCc1ccccc1C(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]butan-2-one?
The InChIKey is FAFLWUBOONFUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-5H,6-7H2,1H3.
What are the key properties of 4-[2-(trifluoromethyl)phenyl]butan-2-one?
4-[2-(trifluoromethyl)phenyl]butan-2-one has a molecular weight of 216.20 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]butan-2-one is sourced from PubChem (CID 11746021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).