(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone

C14H8Br2ClFO — CID 105398350

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
SMILESCc1c(Br)cccc1C(=O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H8Br2ClFO/c1-7-8(3-2-4-10(7)15)14(19)9-5-12(17)11(16)6-13(9)18/h2-6H,1H3
InChIKeyTZEJWFSDOKIGOJ-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.54
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone

(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone (PubChem CID 105398350) has the molecular formula C14H8Br2ClFO and a molecular weight of 406.48 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
PubChem CID105398350
Molecular FormulaC14H8Br2ClFO
Molecular Weight406.48 g/mol
Exact Mass403.86
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
SMILESCc1c(Br)cccc1C(=O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H8Br2ClFO/c1-7-8(3-2-4-10(7)15)14(19)9-5-12(17)11(16)6-13(9)18/h2-6H,1H3
InChIKeyTZEJWFSDOKIGOJ-UHFFFAOYSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.54
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-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400274
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400288
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 105398427
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone (CID 105398350) is (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone is Cc1c(Br)cccc1C(=O)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone?
The InChIKey is TZEJWFSDOKIGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2ClFO/c1-7-8(3-2-4-10(7)15)14(19)9-5-12(17)11(16)6-13(9)18/h2-6H,1H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone?
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone has a molecular weight of 406.48 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone is sourced from PubChem (CID 105398350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).