1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol

C12H15F3OS — CID 112745478

IUPAC1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol
SMILESOC1(c2cscc2C(F)(F)F)CCCCCC1
InChIInChI=1S/C12H15F3OS/c13-12(14,15)10-8-17-7-9(10)11(16)5-3-1-2-4-6-11/h7-8,16H,1-6H2
InChIKeyVSQCGFUOEWEQPS-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.31
Rot. Bonds1

About 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol

1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol (PubChem CID 112745478) has the molecular formula C12H15F3OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol
PubChem CID112745478
Molecular FormulaC12H15F3OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol
SMILESOC1(c2cscc2C(F)(F)F)CCCCCC1
InChIInChI=1S/C12H15F3OS/c13-12(14,15)10-8-17-7-9(10)11(16)5-3-1-2-4-6-11/h7-8,16H,1-6H2
InChIKeyVSQCGFUOEWEQPS-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol?
The IUPAC name of 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol (CID 112745478) is 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol is OC1(c2cscc2C(F)(F)F)CCCCCC1.
What is the InChIKey of 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol?
The InChIKey is VSQCGFUOEWEQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3OS/c13-12(14,15)10-8-17-7-9(10)11(16)5-3-1-2-4-6-11/h7-8,16H,1-6H2.
What are the key properties of 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol?
1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol has a molecular weight of 264.31 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)thiophen-3-yl]cycloheptan-1-ol is sourced from PubChem (CID 112745478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).