4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol

C12H21F3OS — CID 116617346

IUPAC4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESCCCC1CCC(O)C(CCSC(F)(F)F)C1
InChIInChI=1S/C12H21F3OS/c1-2-3-9-4-5-11(16)10(8-9)6-7-17-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyAUZQVNVNYKASNG-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.21
Rot. Bonds5

About 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol

4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (PubChem CID 116617346) has the molecular formula C12H21F3OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
PubChem CID116617346
Molecular FormulaC12H21F3OS
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESCCCC1CCC(O)C(CCSC(F)(F)F)C1
InChIInChI=1S/C12H21F3OS/c1-2-3-9-4-5-11(16)10(8-9)6-7-17-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyAUZQVNVNYKASNG-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (CID 116617346) is 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is CCCC1CCC(O)C(CCSC(F)(F)F)C1.
What is the InChIKey of 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The InChIKey is AUZQVNVNYKASNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3OS/c1-2-3-9-4-5-11(16)10(8-9)6-7-17-12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol has a molecular weight of 270.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 116617346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).