(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol

C11H7BrF2O2 — CID 63942028

IUPAC(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1occc1Br
InChIInChI=1S/C11H7BrF2O2/c12-7-3-4-16-11(7)10(15)6-1-2-8(13)9(14)5-6/h1-5,10,15H
InChIKeyHMJTZXQNIXNHDQ-UHFFFAOYSA-N
MW289.08 g/mol
LogP3.40
Rot. Bonds2

About (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol

(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol (PubChem CID 63942028) has the molecular formula C11H7BrF2O2 and a molecular weight of 289.08 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol
PubChem CID63942028
Molecular FormulaC11H7BrF2O2
Molecular Weight289.08 g/mol
Exact Mass287.96
IUPAC Name(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1occc1Br
InChIInChI=1S/C11H7BrF2O2/c12-7-3-4-16-11(7)10(15)6-1-2-8(13)9(14)5-6/h1-5,10,15H
InChIKeyHMJTZXQNIXNHDQ-UHFFFAOYSA-N
XLogP3.40
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 63944186
(3-bromofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 63943199
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol
CID 66423642
(3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63943204
(3-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 104823083
(3-bromofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63941244
(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol
CID 115800715
(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 115800624
(3-bromofuran-2-yl)-(2,3-dihydrofuran-5-yl)methanol
CID 130174038
(3,4-difluorophenyl)-thiophen-3-ylmethanol
CID 61087371
(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 115606173
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol (CID 63942028) is (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol is OC(c1ccc(F)c(F)c1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol?
The InChIKey is HMJTZXQNIXNHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2O2/c12-7-3-4-16-11(7)10(15)6-1-2-8(13)9(14)5-6/h1-5,10,15H.
What are the key properties of (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol?
(3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol has a molecular weight of 289.08 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 63942028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).