(5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone

C14H8BrClF2O — CID 59235359

IUPAC(5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone
SMILESCc1c(F)cc(C(=O)c2cc(Br)ccc2Cl)cc1F
InChIInChI=1S/C14H8BrClF2O/c1-7-12(17)4-8(5-13(7)18)14(19)10-6-9(15)2-3-11(10)16/h2-6H,1H3
InChIKeyNSDMVLLJPMPPQN-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.92
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone

(5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone (PubChem CID 59235359) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone
PubChem CID59235359
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name(5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone
SMILESCc1c(F)cc(C(=O)c2cc(Br)ccc2Cl)cc1F
InChIInChI=1S/C14H8BrClF2O/c1-7-12(17)4-8(5-13(7)18)14(19)10-6-9(15)2-3-11(10)16/h2-6H,1H3
InChIKeyNSDMVLLJPMPPQN-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone (CID 59235359) is (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone is Cc1c(F)cc(C(=O)c2cc(Br)ccc2Cl)cc1F.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone?
The InChIKey is NSDMVLLJPMPPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c1-7-12(17)4-8(5-13(7)18)14(19)10-6-9(15)2-3-11(10)16/h2-6H,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone?
(5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone has a molecular weight of 345.57 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(3,5-difluoro-4-methylphenyl)methanone is sourced from PubChem (CID 59235359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).