(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol

C13H7Br2ClF2O — CID 106765137

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
SMILESOC(c1cc(F)ccc1Br)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H7Br2ClF2O/c14-9-3-1-6(17)5-8(9)13(19)7-2-4-10(15)11(16)12(7)18/h1-5,13,19H
InChIKeyWJPJUGCOVYZTHI-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.22
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol

(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol (PubChem CID 106765137) has the molecular formula C13H7Br2ClF2O and a molecular weight of 412.46 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
PubChem CID106765137
Molecular FormulaC13H7Br2ClF2O
Molecular Weight412.46 g/mol
Exact Mass409.85
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
SMILESOC(c1cc(F)ccc1Br)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H7Br2ClF2O/c14-9-3-1-6(17)5-8(9)13(19)7-2-4-10(15)11(16)12(7)18/h1-5,13,19H
InChIKeyWJPJUGCOVYZTHI-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106765154
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromofuran-3-yl)methanol
CID 106859646
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397701
(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 106762147
1-(4-bromo-3-chloro-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106765023
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
CID 115793021
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867633

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol (CID 106765137) is (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol is OC(c1cc(F)ccc1Br)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol?
The InChIKey is WJPJUGCOVYZTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClF2O/c14-9-3-1-6(17)5-8(9)13(19)7-2-4-10(15)11(16)12(7)18/h1-5,13,19H.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol?
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol has a molecular weight of 412.46 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol is sourced from PubChem (CID 106765137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).