(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol

C11H7Br2FO2 — CID 66423642

IUPAC(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1occc1Br
InChIInChI=1S/C11H7Br2FO2/c12-7-3-6(4-8(14)5-7)10(15)11-9(13)1-2-16-11/h1-5,10,15H
InChIKeyBHUCNWOZNQVFLB-UHFFFAOYSA-N
MW349.98 g/mol
LogP4.03
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol

(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol (PubChem CID 66423642) has the molecular formula C11H7Br2FO2 and a molecular weight of 349.98 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol
PubChem CID66423642
Molecular FormulaC11H7Br2FO2
Molecular Weight349.98 g/mol
Exact Mass347.88
IUPAC Name(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1occc1Br
InChIInChI=1S/C11H7Br2FO2/c12-7-3-6(4-8(14)5-7)10(15)11-9(13)1-2-16-11/h1-5,10,15H
InChIKeyBHUCNWOZNQVFLB-UHFFFAOYSA-N
XLogP4.03
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.98
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol (CID 66423642) is (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol is OC(c1cc(F)cc(Br)c1)c1occc1Br.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol?
The InChIKey is BHUCNWOZNQVFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FO2/c12-7-3-6(4-8(14)5-7)10(15)11-9(13)1-2-16-11/h1-5,10,15H.
What are the key properties of (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol?
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol has a molecular weight of 349.98 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol is sourced from PubChem (CID 66423642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).