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

C12H15F3OS — CID 65153916

IUPAC1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3OS/c13-12(14,15)9-3-5-11(16,6-4-9)8-10-2-1-7-17-10/h1-2,7,9,16H,3-6,8H2
InChIKeySBWYRFPWBHCZKW-UHFFFAOYSA-N
MW264.31 g/mol
LogP3.77
Rot. Bonds2

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

1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65153916) has the molecular formula C12H15F3OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65153916
Molecular FormulaC12H15F3OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3OS/c13-12(14,15)9-3-5-11(16,6-4-9)8-10-2-1-7-17-10/h1-2,7,9,16H,3-6,8H2
InChIKeySBWYRFPWBHCZKW-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 65153916) is 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1(Cc2cccs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is SBWYRFPWBHCZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3OS/c13-12(14,15)9-3-5-11(16,6-4-9)8-10-2-1-7-17-10/h1-2,7,9,16H,3-6,8H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 264.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65153916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).