(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol

C12H6BrClF4OS — CID 80532331

IUPAC(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Cl)c(Br)s1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H6BrClF4OS/c13-11-7(14)4-8(20-11)10(19)5-2-1-3-6(9(5)15)12(16,17)18/h1-4,10,19H
InChIKeyCWBOPHCCJCQPEO-UHFFFAOYSA-N
MW389.60 g/mol
LogP5.40
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol

(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol (PubChem CID 80532331) has the molecular formula C12H6BrClF4OS and a molecular weight of 389.60 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol
PubChem CID80532331
Molecular FormulaC12H6BrClF4OS
Molecular Weight389.60 g/mol
Exact Mass387.89
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Cl)c(Br)s1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H6BrClF4OS/c13-11-7(14)4-8(20-11)10(19)5-2-1-3-6(9(5)15)12(16,17)18/h1-4,10,19H
InChIKeyCWBOPHCCJCQPEO-UHFFFAOYSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.60
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 80535506
2,3-dibromo-5-[chloro-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
CID 80534598
(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 80532328
(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 80531762
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 175976807
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol
CID 80532007
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 80532302
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol (CID 80532331) is (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol is OC(c1cc(Cl)c(Br)s1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is CWBOPHCCJCQPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF4OS/c13-11-7(14)4-8(20-11)10(19)5-2-1-3-6(9(5)15)12(16,17)18/h1-4,10,19H.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol?
(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 389.60 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 80532331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).