1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol

C14H12F4OS — CID 107287904

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(F)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H12F4OS/c1-8-3-6-12(20-8)13(2,19)9-4-5-11(15)10(7-9)14(16,17)18/h3-7,19H,1-2H3
InChIKeyTWLMBWODLVXAOL-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.47
Rot. Bonds2

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol

1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 107287904) has the molecular formula C14H12F4OS and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol
PubChem CID107287904
Molecular FormulaC14H12F4OS
Molecular Weight304.31 g/mol
Exact Mass304.05
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(F)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H12F4OS/c1-8-3-6-12(20-8)13(2,19)9-4-5-11(15)10(7-9)14(16,17)18/h3-7,19H,1-2H3
InChIKeyTWLMBWODLVXAOL-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol (CID 107287904) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(C)(O)c2ccc(F)c(C(F)(F)F)c2)s1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is TWLMBWODLVXAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4OS/c1-8-3-6-12(20-8)13(2,19)9-4-5-11(15)10(7-9)14(16,17)18/h3-7,19H,1-2H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 304.31 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 107287904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).