(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone

C14H7BrClF3O2 — CID 105398427

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1cc(Cl)c(Br)cc1F)c1ccccc1OC(F)F
InChIInChI=1S/C14H7BrClF3O2/c15-9-6-11(17)8(5-10(9)16)13(20)7-3-1-2-4-12(7)21-14(18)19/h1-6,14H
InChIKeyHZTBRHHJMPHYAA-UHFFFAOYSA-N
MW379.56 g/mol
LogP5.07
Rot. Bonds4

About (4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone

(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone (PubChem CID 105398427) has the molecular formula C14H7BrClF3O2 and a molecular weight of 379.56 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
PubChem CID105398427
Molecular FormulaC14H7BrClF3O2
Molecular Weight379.56 g/mol
Exact Mass377.93
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1cc(Cl)c(Br)cc1F)c1ccccc1OC(F)F
InChIInChI=1S/C14H7BrClF3O2/c15-9-6-11(17)8(5-10(9)16)13(20)7-3-1-2-4-12(7)21-14(18)19/h1-6,14H
InChIKeyHZTBRHHJMPHYAA-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_1', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
[2-(difluoromethoxy)phenyl]-(2,4-difluorophenyl)methanone
CID 43337704
[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 106764270
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400274
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 105398308
(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400302

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone (CID 105398427) is (4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone is O=C(c1cc(Cl)c(Br)cc1F)c1ccccc1OC(F)F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone?
The InChIKey is HZTBRHHJMPHYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF3O2/c15-9-6-11(17)8(5-10(9)16)13(20)7-3-1-2-4-12(7)21-14(18)19/h1-6,14H.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone?
(4-bromo-5-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-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 105398427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).