(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol

C11H7Br2FOS — CID 114885677

IUPAC(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol
SMILESOC(c1cscc1Br)c1c(F)cccc1Br
InChIInChI=1S/C11H7Br2FOS/c12-7-2-1-3-9(14)10(7)11(15)6-4-16-5-8(6)13/h1-5,11,15H
InChIKeyWOVJSSFRTIGDGG-UHFFFAOYSA-N
MW366.05 g/mol
LogP4.49
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol

(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol (PubChem CID 114885677) has the molecular formula C11H7Br2FOS and a molecular weight of 366.05 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol
PubChem CID114885677
Molecular FormulaC11H7Br2FOS
Molecular Weight366.05 g/mol
Exact Mass363.86
IUPAC Name(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol
SMILESOC(c1cscc1Br)c1c(F)cccc1Br
InChIInChI=1S/C11H7Br2FOS/c12-7-2-1-3-9(14)10(7)11(15)6-4-16-5-8(6)13/h1-5,11,15H
InChIKeyWOVJSSFRTIGDGG-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

(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanol
CID 114885783
(4-bromothiophen-3-yl)-(3-fluorophenyl)methanol
CID 79595378
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508
(2-bromo-6-fluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 114885762
(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol
CID 79595737
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 79595160
(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 114885764
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
(4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol
CID 114885595
(2-bromo-6-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 114560510
1-(2-bromo-6-fluorophenyl)-2,2-difluoroethanol
CID 130062648
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol (CID 114885677) is (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol is OC(c1cscc1Br)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol?
The InChIKey is WOVJSSFRTIGDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FOS/c12-7-2-1-3-9(14)10(7)11(15)6-4-16-5-8(6)13/h1-5,11,15H.
What are the key properties of (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol?
(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-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 (2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol is sourced from PubChem (CID 114885677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).