[3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone

C16H11BrF2O — CID 102108070

IUPAC[3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)C1C(c2ccc(Br)cc2)C1(F)F
InChIInChI=1S/C16H11BrF2O/c17-12-8-6-10(7-9-12)13-14(16(13,18)19)15(20)11-4-2-1-3-5-11/h1-9,13-14H
InChIKeyNDMVTPKYUPANDY-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.68
Rot. Bonds3

About [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone

[3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone (PubChem CID 102108070) has the molecular formula C16H11BrF2O and a molecular weight of 337.16 g/mol. Its IUPAC name is [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone
PubChem CID102108070
Molecular FormulaC16H11BrF2O
Molecular Weight337.16 g/mol
Exact Mass336.00
IUPAC Name[3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)C1C(c2ccc(Br)cc2)C1(F)F
InChIInChI=1S/C16H11BrF2O/c17-12-8-6-10(7-9-12)13-14(16(13,18)19)15(20)11-4-2-1-3-5-11/h1-9,13-14H
InChIKeyNDMVTPKYUPANDY-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
CID 11128981
cis-(2R,3R)-2-benzoyl-3-(4-bromophenyl)cyclopropane-1,1-dicarbonitrile
CID 11405427
cis-methyl (1S,3R)-3-(4-bromophenyl)-2,2-difluorocyclopropane-1-carboxylate
CID 177310647
cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
CID 95241079
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-phenylmethanone
CID 11483498
methyl 2-(4-bromophenyl)-1-fluoro-3-phenylcyclopropane-1-carboxylate
CID 118237237
[(4S,5R,6S)-6-(4-bromophenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-phenylmethanone
CID 6551688
(4R,5R,6S)-5-benzoyl-6-(4-bromophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 7117392
(2R,3R,4R,5S)-2,4-dibenzoyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one
CID 124718743
5-benzoyl-6-(4-bromophenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 18866958
3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
CID 121209337
cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
CID 129322641

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone?
The IUPAC name of [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone (CID 102108070) is [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone.
What is the SMILES notation for [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone?
The canonical SMILES for [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone is O=C(c1ccccc1)C1C(c2ccc(Br)cc2)C1(F)F.
What is the InChIKey of [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone?
The InChIKey is NDMVTPKYUPANDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2O/c17-12-8-6-10(7-9-12)13-14(16(13,18)19)15(20)11-4-2-1-3-5-11/h1-9,13-14H.
What are the key properties of [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone?
[3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone has a molecular weight of 337.16 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone is sourced from PubChem (CID 102108070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).