(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

C12H7BrF4OS — CID 107288463

IUPAC(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1cc(Br)cs1
InChIInChI=1S/C12H7BrF4OS/c13-7-4-10(19-5-7)11(18)6-1-2-8(9(14)3-6)12(15,16)17/h1-5,11,18H
InChIKeyUMNRBOLAHITFCI-UHFFFAOYSA-N
MW355.15 g/mol
LogP4.75
Rot. Bonds2

About (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107288463) has the molecular formula C12H7BrF4OS and a molecular weight of 355.15 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID107288463
Molecular FormulaC12H7BrF4OS
Molecular Weight355.15 g/mol
Exact Mass353.93
IUPAC Name(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)c(F)c1)c1cc(Br)cs1
InChIInChI=1S/C12H7BrF4OS/c13-7-4-10(19-5-7)11(18)6-1-2-8(9(14)3-6)12(15,16)17/h1-5,11,18H
InChIKeyUMNRBOLAHITFCI-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287311
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
(5-bromo-2-fluorophenyl)-(4-bromothiophen-2-yl)methanol
CID 79742828
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512
(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287944
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288455
(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287245
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 107288463) is (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)c(F)c1)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is UMNRBOLAHITFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF4OS/c13-7-4-10(19-5-7)11(18)6-1-2-8(9(14)3-6)12(15,16)17/h1-5,11,18H.
What are the key properties of (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 355.15 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107288463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).