(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol

C11H6Br2ClFOS — CID 81461521

IUPAC(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Br)sc1Br)c1cccc(F)c1Cl
InChIInChI=1S/C11H6Br2ClFOS/c12-8-4-6(11(13)17-8)10(16)5-2-1-3-7(15)9(5)14/h1-4,10,16H
InChIKeyQWUFIJNVRDCCPV-UHFFFAOYSA-N
MW400.49 g/mol
LogP5.15
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol

(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (PubChem CID 81461521) has the molecular formula C11H6Br2ClFOS and a molecular weight of 400.49 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
PubChem CID81461521
Molecular FormulaC11H6Br2ClFOS
Molecular Weight400.49 g/mol
Exact Mass397.82
IUPAC Name(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Br)sc1Br)c1cccc(F)c1Cl
InChIInChI=1S/C11H6Br2ClFOS/c12-8-4-6(11(13)17-8)10(16)5-2-1-3-7(15)9(5)14/h1-4,10,16H
InChIKeyQWUFIJNVRDCCPV-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 107964399
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807096
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 114022284
(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 114269187
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 61082422
(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 113400075
(2-chloro-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516247
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 43345053
(2-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879528
2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 114022310
(2-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130732

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (CID 81461521) is (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol is OC(c1cc(Br)sc1Br)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The InChIKey is QWUFIJNVRDCCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFOS/c12-8-4-6(11(13)17-8)10(16)5-2-1-3-7(15)9(5)14/h1-4,10,16H.
What are the key properties of (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol has a molecular weight of 400.49 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol is sourced from PubChem (CID 81461521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).