(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone

C14H7BrClF3O2 — CID 106764270

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)F)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H7BrClF3O2/c15-9-6-5-8(12(17)11(9)16)13(20)7-3-1-2-4-10(7)21-14(18)19/h1-6,14H
InChIKeyAHFOFCLRUWKRDH-UHFFFAOYSA-N
MW379.56 g/mol
LogP5.07
Rot. Bonds4

About (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone

(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone (PubChem CID 106764270) has the molecular formula C14H7BrClF3O2 and a molecular weight of 379.56 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
PubChem CID106764270
Molecular FormulaC14H7BrClF3O2
Molecular Weight379.56 g/mol
Exact Mass377.93
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)F)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H7BrClF3O2/c15-9-6-5-8(12(17)11(9)16)13(20)7-3-1-2-4-10(7)21-14(18)19/h1-6,14H
InChIKeyAHFOFCLRUWKRDH-UHFFFAOYSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.56
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 105398427
[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107515050
(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
[2-(difluoromethoxy)phenyl]-(2,4-difluorophenyl)methanone
CID 43337704
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
CID 106764162
[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
(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)-(2,5-dibromothiophen-3-yl)methanone
CID 107967891
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanone
CID 106764172

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone (CID 106764270) is (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone is O=C(c1ccccc1OC(F)F)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone?
The InChIKey is AHFOFCLRUWKRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF3O2/c15-9-6-5-8(12(17)11(9)16)13(20)7-3-1-2-4-10(7)21-14(18)19/h1-6,14H.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone?
(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone has a molecular weight of 379.56 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 106764270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).