(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol

C11H7BrClFOS — CID 79595737

IUPAC(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol
SMILESOC(c1cscc1Br)c1cccc(Cl)c1F
InChIInChI=1S/C11H7BrClFOS/c12-8-5-16-4-7(8)11(15)6-2-1-3-9(13)10(6)14/h1-5,11,15H
InChIKeyLEWKWNAQSKLVGD-UHFFFAOYSA-N
MW321.60 g/mol
LogP4.38
Rot. Bonds2

About (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol

(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol (PubChem CID 79595737) has the molecular formula C11H7BrClFOS and a molecular weight of 321.60 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol
PubChem CID79595737
Molecular FormulaC11H7BrClFOS
Molecular Weight321.60 g/mol
Exact Mass319.91
IUPAC Name(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol
SMILESOC(c1cscc1Br)c1cccc(Cl)c1F
InChIInChI=1S/C11H7BrClFOS/c12-8-5-16-4-7(8)11(15)6-2-1-3-9(13)10(6)14/h1-5,11,15H
InChIKeyLEWKWNAQSKLVGD-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol
CID 81264627
(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
CID 115820165
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 114885677
(4-bromothiophen-3-yl)-(3-fluorophenyl)methanol
CID 79595378
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 81266328
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
CID 115793021
2-(4-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712259
3-chloro-1-(3-chloro-2-fluorophenyl)propane-1,2-diol
CID 171861609
[(4-bromothiophen-3-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105322598

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol (CID 79595737) is (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol is OC(c1cscc1Br)c1cccc(Cl)c1F.
What is the InChIKey of (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol?
The InChIKey is LEWKWNAQSKLVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFOS/c12-8-5-16-4-7(8)11(15)6-2-1-3-9(13)10(6)14/h1-5,11,15H.
What are the key properties of (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol?
(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol has a molecular weight of 321.60 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 79595737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).