(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone

C14H8Br2F2O — CID 106944351

IUPAC(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2c(F)ccc(Br)c2F)ccc1Br
InChIInChI=1S/C14H8Br2F2O/c1-7-6-8(2-3-9(7)15)14(19)12-11(17)5-4-10(16)13(12)18/h2-6H,1H3
InChIKeyUJPQCJVVUMBACL-UHFFFAOYSA-N
MW390.02 g/mol
LogP5.03
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone

(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone (PubChem CID 106944351) has the molecular formula C14H8Br2F2O and a molecular weight of 390.02 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
PubChem CID106944351
Molecular FormulaC14H8Br2F2O
Molecular Weight390.02 g/mol
Exact Mass387.89
IUPAC Name(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2c(F)ccc(Br)c2F)ccc1Br
InChIInChI=1S/C14H8Br2F2O/c1-7-6-8(2-3-9(7)15)14(19)12-11(17)5-4-10(16)13(12)18/h2-6H,1H3
InChIKeyUJPQCJVVUMBACL-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.02
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106943985
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106944116
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
CID 106941716
(4-bromo-3-methylphenyl)-pyrimidin-5-ylmethanone
CID 114965823

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone (CID 106944351) is (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone is Cc1cc(C(=O)c2c(F)ccc(Br)c2F)ccc1Br.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone?
The InChIKey is UJPQCJVVUMBACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F2O/c1-7-6-8(2-3-9(7)15)14(19)12-11(17)5-4-10(16)13(12)18/h2-6H,1H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone?
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone has a molecular weight of 390.02 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone is sourced from PubChem (CID 106944351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).