1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol

C11H13F3OS — CID 64756505

IUPAC1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3OS/c12-11(13,14)8-3-5-10(15,6-4-8)9-2-1-7-16-9/h1-2,7-8,15H,3-6H2
InChIKeyARYDKUFUPWTHCC-UHFFFAOYSA-N
MW250.28 g/mol
LogP3.69
Rot. Bonds1

About 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol

1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756505) has the molecular formula C11H13F3OS and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756505
Molecular FormulaC11H13F3OS
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC Name1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3OS/c12-11(13,14)8-3-5-10(15,6-4-8)9-2-1-7-16-9/h1-2,7-8,15H,3-6H2
InChIKeyARYDKUFUPWTHCC-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756505) is 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol is OC1(c2cccs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is ARYDKUFUPWTHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3OS/c12-11(13,14)8-3-5-10(15,6-4-8)9-2-1-7-16-9/h1-2,7-8,15H,3-6H2.
What are the key properties of 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol?
1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 250.28 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).