3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol

C14H19F3OS — CID 105097838

IUPAC3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESOC(CCc1ccsc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H19F3OS/c15-14(16,17)12-4-2-1-3-11(12)13(18)6-5-10-7-8-19-9-10/h7-9,11-13,18H,1-6H2
InChIKeyWETDJNROVJNUJI-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.41
Rot. Bonds4

About 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol

3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol (PubChem CID 105097838) has the molecular formula C14H19F3OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
PubChem CID105097838
Molecular FormulaC14H19F3OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESOC(CCc1ccsc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H19F3OS/c15-14(16,17)12-4-2-1-3-11(12)13(18)6-5-10-7-8-19-9-10/h7-9,11-13,18H,1-6H2
InChIKeyWETDJNROVJNUJI-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Thiophen-3-yl)hexan-1-ol
CID 13557546
1,1,1,4,4,4-Hexafluoro-3-thiophen-3-ylbutan-2-ol
CID 90347131
4,4,4-Trifluoro-3-thiophen-3-ylbutan-2-ol
CID 118634143
1,1,1-Trifluoro-3-thiophen-3-ylbutan-2-ol
CID 118634148
3-(4,4-Difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 130361005
4-(4-Fluorophenyl)-4-thiophen-2-ylbutan-1-ol
CID 154198770
Cyclohexyl(thiophen-3-yl)methanol
CID 60797879
2-(3-Thienyl)decanol
CID 129852963
(2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol
CID 155931004
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-thiophen-3-ylnonan-1-ol
CID 11091777
1-(2,4-Difluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62501349
1-(2,5-Difluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62502011

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol (CID 105097838) is 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol is OC(CCc1ccsc1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
The InChIKey is WETDJNROVJNUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3OS/c15-14(16,17)12-4-2-1-3-11(12)13(18)6-5-10-7-8-19-9-10/h7-9,11-13,18H,1-6H2.
What are the key properties of 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol has a molecular weight of 292.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 105097838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).