2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol

C13H9ClF4OS — CID 115351112

IUPAC2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Cl)s1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF4OS/c14-12-2-1-10(20-12)6-11(19)7-3-8(13(16,17)18)5-9(15)4-7/h1-5,11,19H,6H2
InChIKeyUXLVESIRNXJDNW-UHFFFAOYSA-N
MW324.73 g/mol
LogP4.84
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol

2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 115351112) has the molecular formula C13H9ClF4OS and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
PubChem CID115351112
Molecular FormulaC13H9ClF4OS
Molecular Weight324.73 g/mol
Exact Mass324.00
IUPAC Name2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Cl)s1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF4OS/c14-12-2-1-10(20-12)6-11(19)7-3-8(13(16,17)18)5-9(15)4-7/h1-5,11,19H,6H2
InChIKeyUXLVESIRNXJDNW-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351144
2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351095
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 114454050
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62607206
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol
CID 114030376
1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 66423442
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol
CID 115351116

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol (CID 115351112) is 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccc(Cl)s1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is UXLVESIRNXJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4OS/c14-12-2-1-10(20-12)6-11(19)7-3-8(13(16,17)18)5-9(15)4-7/h1-5,11,19H,6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 324.73 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115351112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).