2,2-difluoro-1-(4-methylphenyl)ethanone;hydron

C9H9F2O+ — CID 131857858

IUPAC2,2-difluoro-1-(4-methylphenyl)ethanone;hydron
SMILESCc1ccc(C(=O)C(F)F)cc1.[H+]
InChIInChI=1S/C9H8F2O/c1-6-2-4-7(5-3-6)8(12)9(10)11/h2-5,9H,1H3/p+1
InChIKeyRKOAJRSRPAQUFF-UHFFFAOYSA-O
MW171.17 g/mol
LogP2.56
Rot. Bonds2

About 2,2-difluoro-1-(4-methylphenyl)ethanone;hydron

2,2-difluoro-1-(4-methylphenyl)ethanone;hydron (PubChem CID 131857858) has the molecular formula C9H9F2O+ and a molecular weight of 171.17 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-methylphenyl)ethanone;hydron.

Molecular Properties

Compound Name2,2-difluoro-1-(4-methylphenyl)ethanone;hydron
PubChem CID131857858
Molecular FormulaC9H9F2O+
Molecular Weight171.17 g/mol
Exact Mass171.06
IUPAC Name2,2-difluoro-1-(4-methylphenyl)ethanone;hydron
SMILESCc1ccc(C(=O)C(F)F)cc1.[H+]
InChIInChI=1S/C9H8F2O/c1-6-2-4-7(5-3-6)8(12)9(10)11/h2-5,9H,1H3/p+1
InChIKeyRKOAJRSRPAQUFF-UHFFFAOYSA-O
XLogP2.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-1-(4-propan-2-ylphenyl)ethanone
CID 91636257
CID 70455298
CID 70455298
1-(3,5-dimethylphenyl)-2,2-difluoroethanone
CID 91636254
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
ethyl 4-(2,2-difluoroacetyl)benzoate
CID 11333639
2-azido-2-fluoro-1-(4-methylphenyl)ethanone
CID 170553086
2-hydroxy-1-(4-methylphenyl)-2-methylsulfanylethanone
CID 130122073
2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanone
CID 13240543
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
1-(4-chloro-3-methylphenyl)-2,2-difluoroethanone
CID 91658550
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanone
CID 91658558
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-methylphenyl)ethanone;hydron?
The IUPAC name of 2,2-difluoro-1-(4-methylphenyl)ethanone;hydron (CID 131857858) is 2,2-difluoro-1-(4-methylphenyl)ethanone;hydron.
What is the SMILES notation for 2,2-difluoro-1-(4-methylphenyl)ethanone;hydron?
The canonical SMILES for 2,2-difluoro-1-(4-methylphenyl)ethanone;hydron is Cc1ccc(C(=O)C(F)F)cc1.[H+].
What is the InChIKey of 2,2-difluoro-1-(4-methylphenyl)ethanone;hydron?
The InChIKey is RKOAJRSRPAQUFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8F2O/c1-6-2-4-7(5-3-6)8(12)9(10)11/h2-5,9H,1H3/p+1.
What are the key properties of 2,2-difluoro-1-(4-methylphenyl)ethanone;hydron?
2,2-difluoro-1-(4-methylphenyl)ethanone;hydron has a molecular weight of 171.17 g/mol, XLogP of 2.56, 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-(4-methylphenyl)ethanone;hydron is sourced from PubChem (CID 131857858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).