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

C13H17F3OS — CID 65154128

IUPAC1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CCc2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H17F3OS/c14-13(15,16)10-3-6-12(17,7-4-10)8-5-11-2-1-9-18-11/h1-2,9-10,17H,3-8H2
InChIKeyOFMACNCJMKTSIX-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.16
Rot. Bonds3

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

1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65154128) has the molecular formula C13H17F3OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65154128
Molecular FormulaC13H17F3OS
Molecular Weight278.34 g/mol
Exact Mass278.10
IUPAC Name1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CCc2cccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H17F3OS/c14-13(15,16)10-3-6-12(17,7-4-10)8-5-11-2-1-9-18-11/h1-2,9-10,17H,3-8H2
InChIKeyOFMACNCJMKTSIX-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
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-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 65154128) is 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1(CCc2cccs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OFMACNCJMKTSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3OS/c14-13(15,16)10-3-6-12(17,7-4-10)8-5-11-2-1-9-18-11/h1-2,9-10,17H,3-8H2.
What are the key properties of 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 278.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65154128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).