(2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol

C13H7BrF4O — CID 107538529

IUPAC(2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)c1ccc(F)c(F)c1Br
InChIInChI=1S/C13H7BrF4O/c14-11-8(3-4-9(16)12(11)18)13(19)7-2-1-6(15)5-10(7)17/h1-5,13,19H
InChIKeyOGGVBOTZKFCVIM-UHFFFAOYSA-N
MW335.09 g/mol
LogP4.09
Rot. Bonds2

About (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol

(2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol (PubChem CID 107538529) has the molecular formula C13H7BrF4O and a molecular weight of 335.09 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol
PubChem CID107538529
Molecular FormulaC13H7BrF4O
Molecular Weight335.09 g/mol
Exact Mass333.96
IUPAC Name(2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)cc1F)c1ccc(F)c(F)c1Br
InChIInChI=1S/C13H7BrF4O/c14-11-8(3-4-9(16)12(11)18)13(19)7-2-1-6(15)5-10(7)17/h1-5,13,19H
InChIKeyOGGVBOTZKFCVIM-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 54.09
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

(2-bromo-3,4-difluorophenyl)-(2,3-difluorophenyl)methanol
CID 107538306
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
CID 61087730
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487
(2,4-difluorophenyl)methanediol
CID 91089962
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
(2-aminophenyl)-(2,4-difluorophenyl)methanol
CID 64833381
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 62964628
(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 107538556

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol (CID 107538529) is (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol is OC(c1ccc(F)cc1F)c1ccc(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol?
The InChIKey is OGGVBOTZKFCVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4O/c14-11-8(3-4-9(16)12(11)18)13(19)7-2-1-6(15)5-10(7)17/h1-5,13,19H.
What are the key properties of (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol?
(2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol has a molecular weight of 335.09 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 107538529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).