(5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol

C11H6BrClF2O2 — CID 107477162

IUPAC(5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol
SMILESOC(c1ccc(Br)o1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H6BrClF2O2/c12-10-2-1-9(17-10)11(16)5-3-7(14)8(15)4-6(5)13/h1-4,11,16H
InChIKeyGBONWKMCURGHTP-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.06
Rot. Bonds2

About (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol

(5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol (PubChem CID 107477162) has the molecular formula C11H6BrClF2O2 and a molecular weight of 323.52 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol
PubChem CID107477162
Molecular FormulaC11H6BrClF2O2
Molecular Weight323.52 g/mol
Exact Mass321.92
IUPAC Name(5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol
SMILESOC(c1ccc(Br)o1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H6BrClF2O2/c12-10-2-1-9(17-10)11(16)5-3-7(14)8(15)4-6(5)13/h1-4,11,16H
InChIKeyGBONWKMCURGHTP-UHFFFAOYSA-N
XLogP4.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107991378
(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63893476
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982
(5-bromofuran-2-yl)-(2,5-dibromophenyl)methanol
CID 61099040
(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087633
1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851950
(5-bromofuran-2-yl)-(2-chloro-5-fluorophenyl)methanamine
CID 105397394
(5-bromofuran-2-yl)-(2-methylphenyl)methanol
CID 63895016
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
1-benzothiophen-2-yl-(2-chloro-4,5-difluorophenyl)methanol
CID 107477095
(5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998826
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol?
The IUPAC name of (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol (CID 107477162) is (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol.
What is the SMILES notation for (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol?
The canonical SMILES for (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol is OC(c1ccc(Br)o1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol?
The InChIKey is GBONWKMCURGHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF2O2/c12-10-2-1-9(17-10)11(16)5-3-7(14)8(15)4-6(5)13/h1-4,11,16H.
What are the key properties of (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol?
(5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol has a molecular weight of 323.52 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2-chloro-4,5-difluorophenyl)methanol is sourced from PubChem (CID 107477162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).