1-[3-(difluoromethyl)-2-methylphenyl]ethanone

C10H10F2O — CID 138750714

IUPAC1-[3-(difluoromethyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1cccc(C(F)F)c1C
InChIInChI=1S/C10H10F2O/c1-6-8(7(2)13)4-3-5-9(6)10(11)12/h3-5,10H,1-2H3
InChIKeyDIBGGZULKMKQLG-UHFFFAOYSA-N
MW184.18 g/mol
LogP3.14
Rot. Bonds2

About 1-[3-(difluoromethyl)-2-methylphenyl]ethanone

1-[3-(difluoromethyl)-2-methylphenyl]ethanone (PubChem CID 138750714) has the molecular formula C10H10F2O and a molecular weight of 184.18 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-methylphenyl]ethanone
PubChem CID138750714
Molecular FormulaC10H10F2O
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name1-[3-(difluoromethyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1cccc(C(F)F)c1C
InChIInChI=1S/C10H10F2O/c1-6-8(7(2)13)4-3-5-9(6)10(11)12/h3-5,10H,1-2H3
InChIKeyDIBGGZULKMKQLG-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[3-(difluoromethyl)-2-methylphenyl]propan-1-one
CID 131415290
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone
CID 115019022
1-[3-(fluoromethyl)-2-methylphenyl]ethanone
CID 118460978
N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylpropanamide
CID 177158170
1-[5-amino-2-(difluoromethyl)-4-methylphenyl]ethanone
CID 170996780
1-[4-bromo-2-(difluoromethyl)-5-methylphenyl]ethanone
CID 131328103
3-acetyl-2-methylbenzenesulfonic acid
CID 23042311
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
1-bromo-1-[3-(difluoromethyl)-2-sulfanylphenyl]propan-2-one
CID 134615851
1-[2-(difluoromethyl)-3-methoxyphenyl]ethanone
CID 84669251
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-methylphenyl]ethanone?
The IUPAC name of 1-[3-(difluoromethyl)-2-methylphenyl]ethanone (CID 138750714) is 1-[3-(difluoromethyl)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[3-(difluoromethyl)-2-methylphenyl]ethanone is CC(=O)c1cccc(C(F)F)c1C.
What is the InChIKey of 1-[3-(difluoromethyl)-2-methylphenyl]ethanone?
The InChIKey is DIBGGZULKMKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-6-8(7(2)13)4-3-5-9(6)10(11)12/h3-5,10H,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)-2-methylphenyl]ethanone?
1-[3-(difluoromethyl)-2-methylphenyl]ethanone has a molecular weight of 184.18 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-methylphenyl]ethanone is sourced from PubChem (CID 138750714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).