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

C13H8BrClF2O — CID 82879548

IUPAC(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
SMILESOC(c1ccc(F)c(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrClF2O/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,13,18H
InChIKeySWLOPOWDSHPSQC-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.46
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol (PubChem CID 82879548) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
PubChem CID82879548
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
SMILESOC(c1ccc(F)c(Cl)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrClF2O/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,13,18H
InChIKeySWLOPOWDSHPSQC-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
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(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
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2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
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(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
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(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
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(R)-(3-chloro-4-fluorophenyl)-(furan-3-yl)methanol
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(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
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(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
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(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol (CID 82879548) is (3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol is OC(c1ccc(F)c(Cl)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol?
The InChIKey is SWLOPOWDSHPSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,13,18H.
What are the key properties of (3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol?
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol has a molecular weight of 333.56 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol is sourced from PubChem (CID 82879548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).