(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol

C11H7Br2FOS — CID 106644525

IUPAC(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
SMILESOC(c1cccc(Br)c1F)c1sccc1Br
InChIInChI=1S/C11H7Br2FOS/c12-7-3-1-2-6(9(7)14)10(15)11-8(13)4-5-16-11/h1-5,10,15H
InChIKeyLNSUTJQQCNZRLK-UHFFFAOYSA-N
MW366.05 g/mol
LogP4.49
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol

(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol (PubChem CID 106644525) has the molecular formula C11H7Br2FOS and a molecular weight of 366.05 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
PubChem CID106644525
Molecular FormulaC11H7Br2FOS
Molecular Weight366.05 g/mol
Exact Mass363.86
IUPAC Name(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
SMILESOC(c1cccc(Br)c1F)c1sccc1Br
InChIInChI=1S/C11H7Br2FOS/c12-7-3-1-2-6(9(7)14)10(15)11-8(13)4-5-16-11/h1-5,10,15H
InChIKeyLNSUTJQQCNZRLK-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 86730392
(2-bromo-4-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 80535969
(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanol
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(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
N-[(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 106647972
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79730854
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 86730391
(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol (CID 106644525) is (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol is OC(c1cccc(Br)c1F)c1sccc1Br.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol?
The InChIKey is LNSUTJQQCNZRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FOS/c12-7-3-1-2-6(9(7)14)10(15)11-8(13)4-5-16-11/h1-5,10,15H.
What are the key properties of (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol?
(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol has a molecular weight of 366.05 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol is sourced from PubChem (CID 106644525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).