2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone

C11H12F2O — CID 103513549

IUPAC2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)C(F)F)c(C)c1
InChIInChI=1S/C11H12F2O/c1-6-4-7(2)9(8(3)5-6)10(14)11(12)13/h4-5,11H,1-3H3
InChIKeyQVJRGFPJBQQLCU-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.06
Rot. Bonds2

About 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone

2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 103513549) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID103513549
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)C(F)F)c(C)c1
InChIInChI=1S/C11H12F2O/c1-6-4-7(2)9(8(3)5-6)10(14)11(12)13/h4-5,11H,1-3H3
InChIKeyQVJRGFPJBQQLCU-UHFFFAOYSA-N
XLogP3.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
2-[1,3-dioxo-1,3-bis(2,4,6-trimethylphenyl)propan-2-yl]oxy-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 141040043
trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
CID 159688001
1-(3,5-dimethylphenyl)-2,2-difluoroethanone
CID 91636254
2-phosphoroso-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 22735025
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
2-(difluoromethyl)-4,6-dimethylbenzoic acid
CID 131256404
2,4-dichloro-1-(2,4,6-trimethylphenyl)butan-1-one
CID 82121115
CID 140911137
CID 140911137
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone (CID 103513549) is 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)C(F)F)c(C)c1.
What is the InChIKey of 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is QVJRGFPJBQQLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-6-4-7(2)9(8(3)5-6)10(14)11(12)13/h4-5,11H,1-3H3.
What are the key properties of 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone?
2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 198.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 103513549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).