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

C12H7ClF4OS — CID 115351144

IUPAC(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClF4OS/c13-10-2-1-9(19-10)11(18)6-3-7(12(15,16)17)5-8(14)4-6/h1-5,11,18H
InChIKeyNLMPYEOUGRHTCY-UHFFFAOYSA-N
MW310.70 g/mol
LogP4.64
Rot. Bonds2

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

(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol (PubChem CID 115351144) has the molecular formula C12H7ClF4OS and a molecular weight of 310.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
PubChem CID115351144
Molecular FormulaC12H7ClF4OS
Molecular Weight310.70 g/mol
Exact Mass309.98
IUPAC Name(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H7ClF4OS/c13-10-2-1-9(19-10)11(18)6-3-7(12(15,16)17)5-8(14)4-6/h1-5,11,18H
InChIKeyNLMPYEOUGRHTCY-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691647
2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351112
1-[(R)-(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171180017
(5-chlorothiophen-2-yl)-(5-chlorothiophen-3-yl)methanol
CID 130608755
2-[bromo-(3,5-difluorophenyl)methyl]-5-chlorothiophene
CID 63441429
[3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol
CID 115351139
(4-fluoro-3-methylphenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351040
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol (CID 115351144) is (5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol is OC(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is NLMPYEOUGRHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF4OS/c13-10-2-1-9(19-10)11(18)6-3-7(12(15,16)17)5-8(14)4-6/h1-5,11,18H.
What are the key properties of (5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 310.70 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115351144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).