(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone

C14H8BrClF2O — CID 106761714

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)c(Cl)c2F)ccc1F
InChIInChI=1S/C14H8BrClF2O/c1-7-6-8(2-5-11(7)17)14(19)9-3-4-10(15)12(16)13(9)18/h2-6H,1H3
InChIKeyXXSLGDHUNCXWOF-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.92
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone

(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 106761714) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID106761714
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)c(Cl)c2F)ccc1F
InChIInChI=1S/C14H8BrClF2O/c1-7-6-8(2-5-11(7)17)14(19)9-3-4-10(15)12(16)13(9)18/h2-6H,1H3
InChIKeyXXSLGDHUNCXWOF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 113402904
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106763911
(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 106761864
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736594
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone (CID 106761714) is (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2ccc(Br)c(Cl)c2F)ccc1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is XXSLGDHUNCXWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c1-7-6-8(2-5-11(7)17)14(19)9-3-4-10(15)12(16)13(9)18/h2-6H,1H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-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 (4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 106761714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).