2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone

C27H19FO2 — CID 102314756

IUPAC2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)c1ccc(C(C(=O)c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C27H19FO2/c28-24-18-22(26(29)20-12-6-2-7-13-20)16-17-23(24)25(19-10-4-1-5-11-19)27(30)21-14-8-3-9-15-21/h1-18,25H
InChIKeyDPNHEMNTMWSCGM-UHFFFAOYSA-N
MW394.45 g/mol
LogP6.07
Rot. Bonds6

About 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone

2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone (PubChem CID 102314756) has the molecular formula C27H19FO2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone
PubChem CID102314756
Molecular FormulaC27H19FO2
Molecular Weight394.45 g/mol
Exact Mass394.14
IUPAC Name2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)c1ccc(C(C(=O)c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C27H19FO2/c28-24-18-22(26(29)20-12-6-2-7-13-20)16-17-23(24)25(19-10-4-1-5-11-19)27(30)21-14-8-3-9-15-21/h1-18,25H
InChIKeyDPNHEMNTMWSCGM-UHFFFAOYSA-N
XLogP6.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-phenylmethanone
CID 161464622
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
[3,4-bis(4-fluorophenyl)phenyl]-phenylmethanone
CID 46188813
2-(2,4-difluorophenyl)-2-phenylethanethioamide
CID 174794520
diphenylmethanone
CID 3102
diphenylmethanol;diphenylmethanone
CID 67159414
1,4-bis(4-fluorophenyl)-2,3-diphenylbutane-1,4-dione
CID 70902431
[3-chloro-4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 71231895
2-(2-fluorophenyl)-2-phenylacetamide
CID 122446902
(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone
CID 146008045
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone
CID 95049071

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone?
The IUPAC name of 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone (CID 102314756) is 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone.
What is the SMILES notation for 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone?
The canonical SMILES for 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone is O=C(c1ccccc1)c1ccc(C(C(=O)c2ccccc2)c2ccccc2)c(F)c1.
What is the InChIKey of 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone?
The InChIKey is DPNHEMNTMWSCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FO2/c28-24-18-22(26(29)20-12-6-2-7-13-20)16-17-23(24)25(19-10-4-1-5-11-19)27(30)21-14-8-3-9-15-21/h1-18,25H.
What are the key properties of 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone?
2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone has a molecular weight of 394.45 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone is sourced from PubChem (CID 102314756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).