(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone

C16H12F2O — CID 11128981

IUPAC(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C(c2ccccc2)C1(F)F
InChIInChI=1S/C16H12F2O/c17-16(18)13(11-7-3-1-4-8-11)14(16)15(19)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyURZHTAGMEPQDCI-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.92
Rot. Bonds3

About (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone

(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone (PubChem CID 11128981) has the molecular formula C16H12F2O and a molecular weight of 258.27 g/mol. Its IUPAC name is (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone.

Molecular Properties

Compound Name(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
PubChem CID11128981
Molecular FormulaC16H12F2O
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1C(c2ccccc2)C1(F)F
InChIInChI=1S/C16H12F2O/c17-16(18)13(11-7-3-1-4-8-11)14(16)15(19)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyURZHTAGMEPQDCI-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone
CID 102108070
cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
CID 95241079
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
1-[(1S,2R,3S)-2-benzoyl-3-phenyl-1-(2-phenylethynyl)cyclopropyl]ethanone
CID 101467024
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]-phenylmethanone
CID 7019393
cis-(2R,3R)-2-benzoyl-3-(4-bromophenyl)cyclopropane-1,1-dicarbonitrile
CID 11405427
(2,2-diethoxy-4-phenylcyclobutyl)-phenylmethanone
CID 86055270
(2S,3R,4S,6R)-3-benzoyl-4-hydroxy-2,4,6-triphenylcyclohexane-1,1-dicarbonitrile
CID 139069447
(2,2-difluoro-3-phenylcyclopropyl)methanol
CID 13201699
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone?
The IUPAC name of (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone (CID 11128981) is (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone.
What is the SMILES notation for (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone?
The canonical SMILES for (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone is O=C(c1ccccc1)C1C(c2ccccc2)C1(F)F.
What is the InChIKey of (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone?
The InChIKey is URZHTAGMEPQDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O/c17-16(18)13(11-7-3-1-4-8-11)14(16)15(19)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone?
(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone has a molecular weight of 258.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone is sourced from PubChem (CID 11128981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).