bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone

C25H14Cl2F2O — CID 70484247

IUPACbis[2-(4-chlorophenyl)-4-fluorophenyl]methanone
SMILESO=C(c1ccc(F)cc1-c1ccc(Cl)cc1)c1ccc(F)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H14Cl2F2O/c26-17-5-1-15(2-6-17)23-13-19(28)9-11-21(23)25(30)22-12-10-20(29)14-24(22)16-3-7-18(27)8-4-16/h1-14H
InChIKeyRTYUUHCCEKXXAM-UHFFFAOYSA-N
MW439.29 g/mol
LogP7.84
Rot. Bonds4

About bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone

bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone (PubChem CID 70484247) has the molecular formula C25H14Cl2F2O and a molecular weight of 439.29 g/mol. Its IUPAC name is bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone.

Molecular Properties

Compound Namebis[2-(4-chlorophenyl)-4-fluorophenyl]methanone
PubChem CID70484247
Molecular FormulaC25H14Cl2F2O
Molecular Weight439.29 g/mol
Exact Mass438.04
IUPAC Namebis[2-(4-chlorophenyl)-4-fluorophenyl]methanone
SMILESO=C(c1ccc(F)cc1-c1ccc(Cl)cc1)c1ccc(F)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H14Cl2F2O/c26-17-5-1-15(2-6-17)23-13-19(28)9-11-21(23)25(30)22-12-10-20(29)14-24(22)16-3-7-18(27)8-4-16/h1-14H
InChIKeyRTYUUHCCEKXXAM-UHFFFAOYSA-N
XLogP7.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.29
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(4-chlorophenyl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 10399889
bis[2-(4-fluorophenyl)phenyl]methanone
CID 141033453
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
4-(2-chloro-5-fluorophenyl)benzoic acid
CID 53426192
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone?
The IUPAC name of bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone (CID 70484247) is bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone.
What is the SMILES notation for bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone?
The canonical SMILES for bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone is O=C(c1ccc(F)cc1-c1ccc(Cl)cc1)c1ccc(F)cc1-c1ccc(Cl)cc1.
What is the InChIKey of bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone?
The InChIKey is RTYUUHCCEKXXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Cl2F2O/c26-17-5-1-15(2-6-17)23-13-19(28)9-11-21(23)25(30)22-12-10-20(29)14-24(22)16-3-7-18(27)8-4-16/h1-14H.
What are the key properties of bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone?
bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone has a molecular weight of 439.29 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone is sourced from PubChem (CID 70484247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).