1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol

C13H10F4OS — CID 107287122

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol
SMILESCC(O)(c1ccc(F)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H10F4OS/c1-12(18,11-3-2-6-19-11)8-4-5-10(14)9(7-8)13(15,16)17/h2-7,18H,1H3
InChIKeyLBVUFTYPCJCSEW-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.16
Rot. Bonds2

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol

1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol (PubChem CID 107287122) has the molecular formula C13H10F4OS and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol
PubChem CID107287122
Molecular FormulaC13H10F4OS
Molecular Weight290.28 g/mol
Exact Mass290.04
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol
SMILESCC(O)(c1ccc(F)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C13H10F4OS/c1-12(18,11-3-2-6-19-11)8-4-5-10(14)9(7-8)13(15,16)17/h2-7,18H,1H3
InChIKeyLBVUFTYPCJCSEW-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.16
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-thiophen-2-ylethanol?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol (CID 107287122) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol is CC(O)(c1ccc(F)c(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol?
The InChIKey is LBVUFTYPCJCSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4OS/c1-12(18,11-3-2-6-19-11)8-4-5-10(14)9(7-8)13(15,16)17/h2-7,18H,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-thiophen-2-ylethanol has a molecular weight of 290.28 g/mol, XLogP of 4.16, 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-thiophen-2-ylethanol is sourced from PubChem (CID 107287122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).