2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol

C13H10ClF3O2S — CID 65148256

IUPAC2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccc(Cl)s1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H10ClF3O2S/c14-12-6-5-8(20-12)7-10(18)9-3-1-2-4-11(9)19-13(15,16)17/h1-6,10,18H,7H2
InChIKeyCXQSHENGZULTJZ-UHFFFAOYSA-N
MW322.74 g/mol
LogP4.58
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol

2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 65148256) has the molecular formula C13H10ClF3O2S and a molecular weight of 322.74 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID65148256
Molecular FormulaC13H10ClF3O2S
Molecular Weight322.74 g/mol
Exact Mass322.00
IUPAC Name2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccc(Cl)s1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H10ClF3O2S/c14-12-6-5-8(20-12)7-10(18)9-3-1-2-4-11(9)19-13(15,16)17/h1-6,10,18H,7H2
InChIKeyCXQSHENGZULTJZ-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
2-(5-chlorothiophen-2-yl)-1-(2-cyclopropylphenyl)ethanol
CID 79982846
1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786093
2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790809
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 115515453
2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol
CID 114030376
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109
1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850814
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol (CID 65148256) is 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol is OC(Cc1ccc(Cl)s1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is CXQSHENGZULTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3O2S/c14-12-6-5-8(20-12)7-10(18)9-3-1-2-4-11(9)19-13(15,16)17/h1-6,10,18H,7H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 322.74 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 65148256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).