1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol

C14H12F4OS — CID 115351116

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F4OS/c15-12-6-10(5-11(7-12)14(16,17)18)13(19)2-1-9-3-4-20-8-9/h3-8,13,19H,1-2H2
InChIKeyVSWZBIKIMJGZED-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.57
Rot. Bonds4

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol

1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol (PubChem CID 115351116) has the molecular formula C14H12F4OS and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol
PubChem CID115351116
Molecular FormulaC14H12F4OS
Molecular Weight304.31 g/mol
Exact Mass304.05
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F4OS/c15-12-6-10(5-11(7-12)14(16,17)18)13(19)2-1-9-3-4-20-8-9/h3-8,13,19H,1-2H2
InChIKeyVSWZBIKIMJGZED-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol
CID 115351041
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 103823528
2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351095
1-chloro-1,1-difluoro-4-thiophen-3-ylbutan-2-ol
CID 112575293
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 115351272
2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351112
2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
CID 79443461

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol (CID 115351116) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol?
The InChIKey is VSWZBIKIMJGZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4OS/c15-12-6-10(5-11(7-12)14(16,17)18)13(19)2-1-9-3-4-20-8-9/h3-8,13,19H,1-2H2.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol?
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol has a molecular weight of 304.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 115351116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).