2,2-difluoro-1-(3-methoxyphenyl)ethanone

C9H8F2O2 — CID 91636166

IUPAC2,2-difluoro-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)C(F)F)c1
InChIInChI=1S/C9H8F2O2/c1-13-7-4-2-3-6(5-7)8(12)9(10)11/h2-5,9H,1H3
InChIKeyNDHALOPRIRDGPQ-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.14
Rot. Bonds3

About 2,2-difluoro-1-(3-methoxyphenyl)ethanone

2,2-difluoro-1-(3-methoxyphenyl)ethanone (PubChem CID 91636166) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methoxyphenyl)ethanone
PubChem CID91636166
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2,2-difluoro-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)C(F)F)c1
InChIInChI=1S/C9H8F2O2/c1-13-7-4-2-3-6(5-7)8(12)9(10)11/h2-5,9H,1H3
InChIKeyNDHALOPRIRDGPQ-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
CID 139919860
2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
(Z)-1,1-difluoro-4-hydroxy-4-(3-methoxyphenyl)but-3-en-2-one
CID 7147454
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2-amino-1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116611446
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
3-(3-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924251
2,2-difluoro-1-(3-fluoro-5-methoxyphenyl)ethanone
CID 126972003
2-methoxy-1-(3-methoxyphenyl)pentan-1-one
CID 116708051
2-(3-methoxybenzoyl)butanenitrile
CID 15416394
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-methoxyphenyl)ethanone (CID 91636166) is 2,2-difluoro-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)C(F)F)c1.
What is the InChIKey of 2,2-difluoro-1-(3-methoxyphenyl)ethanone?
The InChIKey is NDHALOPRIRDGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-13-7-4-2-3-6(5-7)8(12)9(10)11/h2-5,9H,1H3.
What are the key properties of 2,2-difluoro-1-(3-methoxyphenyl)ethanone?
2,2-difluoro-1-(3-methoxyphenyl)ethanone has a molecular weight of 186.16 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 91636166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).