(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol

C13H8BrF3O — CID 106644628

IUPAC(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cccc(Br)c1F
InChIInChI=1S/C13H8BrF3O/c14-11-3-1-2-10(12(11)17)13(18)7-4-8(15)6-9(16)5-7/h1-6,13,18H
InChIKeyAKUBUXBFQUETNW-UHFFFAOYSA-N
MW317.10 g/mol
LogP3.95
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol

(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol (PubChem CID 106644628) has the molecular formula C13H8BrF3O and a molecular weight of 317.10 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
PubChem CID106644628
Molecular FormulaC13H8BrF3O
Molecular Weight317.10 g/mol
Exact Mass315.97
IUPAC Name(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cccc(Br)c1F
InChIInChI=1S/C13H8BrF3O/c14-11-3-1-2-10(12(11)17)13(18)7-4-8(15)6-9(16)5-7/h1-6,13,18H
InChIKeyAKUBUXBFQUETNW-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol
CID 97293464
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(2-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol (CID 106644628) is (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol is OC(c1cc(F)cc(F)c1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol?
The InChIKey is AKUBUXBFQUETNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O/c14-11-3-1-2-10(12(11)17)13(18)7-4-8(15)6-9(16)5-7/h1-6,13,18H.
What are the key properties of (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol?
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol has a molecular weight of 317.10 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 106644628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).