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

C27H18Cl2F2O — CID 123134509

IUPACbis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone
SMILESO=C(c1ccc(F)cc1Cc1ccccc1Cl)c1ccc(F)cc1Cc1ccccc1Cl
InChIInChI=1S/C27H18Cl2F2O/c28-25-7-3-1-5-17(25)13-19-15-21(30)9-11-23(19)27(32)24-12-10-22(31)16-20(24)14-18-6-2-4-8-26(18)29/h1-12,15-16H,13-14H2
InChIKeyUCQIDJZVXSJPLP-UHFFFAOYSA-N
MW467.34 g/mol
LogP7.68
Rot. Bonds6

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

bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone (PubChem CID 123134509) has the molecular formula C27H18Cl2F2O and a molecular weight of 467.34 g/mol. Its IUPAC name is bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone.

Molecular Properties

Compound Namebis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone
PubChem CID123134509
Molecular FormulaC27H18Cl2F2O
Molecular Weight467.34 g/mol
Exact Mass466.07
IUPAC Namebis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone
SMILESO=C(c1ccc(F)cc1Cc1ccccc1Cl)c1ccc(F)cc1Cc1ccccc1Cl
InChIInChI=1S/C27H18Cl2F2O/c28-25-7-3-1-5-17(25)13-19-15-21(30)9-11-23(19)27(32)24-12-10-22(31)16-20(24)14-18-6-2-4-8-26(18)29/h1-12,15-16H,13-14H2
InChIKeyUCQIDJZVXSJPLP-UHFFFAOYSA-N
XLogP7.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.34
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129
2-benzyl-4-fluorobenzoic acid
CID 68960960
(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
CID 113400401
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622133
3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
CID 139758970

Frequently Asked Questions

What is the IUPAC name of bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone?
The IUPAC name of bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone (CID 123134509) is bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone.
What is the SMILES notation for bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone?
The canonical SMILES for bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone is O=C(c1ccc(F)cc1Cc1ccccc1Cl)c1ccc(F)cc1Cc1ccccc1Cl.
What is the InChIKey of bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone?
The InChIKey is UCQIDJZVXSJPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2F2O/c28-25-7-3-1-5-17(25)13-19-15-21(30)9-11-23(19)27(32)24-12-10-22(31)16-20(24)14-18-6-2-4-8-26(18)29/h1-12,15-16H,13-14H2.
What are the key properties of bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone?
bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone has a molecular weight of 467.34 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone is sourced from PubChem (CID 123134509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).