2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol

C12H15F3OS — CID 112745477

IUPAC2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol
SMILESCC1CCCCC1(O)c1cscc1C(F)(F)F
InChIInChI=1S/C12H15F3OS/c1-8-4-2-3-5-11(8,16)9-6-17-7-10(9)12(13,14)15/h6-8,16H,2-5H2,1H3
InChIKeyDCNDAVDQHSKQTQ-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.16
Rot. Bonds1

About 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol

2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol (PubChem CID 112745477) has the molecular formula C12H15F3OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol
PubChem CID112745477
Molecular FormulaC12H15F3OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol
SMILESCC1CCCCC1(O)c1cscc1C(F)(F)F
InChIInChI=1S/C12H15F3OS/c1-8-4-2-3-5-11(8,16)9-6-17-7-10(9)12(13,14)15/h6-8,16H,2-5H2,1H3
InChIKeyDCNDAVDQHSKQTQ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol (CID 112745477) is 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol is CC1CCCCC1(O)c1cscc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol?
The InChIKey is DCNDAVDQHSKQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3OS/c1-8-4-2-3-5-11(8,16)9-6-17-7-10(9)12(13,14)15/h6-8,16H,2-5H2,1H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol?
2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol has a molecular weight of 264.31 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]cyclohexan-1-ol is sourced from PubChem (CID 112745477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).