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

C12H21F3OS — CID 116617349

IUPAC4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCSC(F)(F)F)C1
InChIInChI=1S/C12H21F3OS/c1-8(2)9-3-4-11(16)10(7-9)5-6-17-12(13,14)15/h8-11,16H,3-7H2,1-2H3
InChIKeyXWMVPPLNDOBCQB-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.06
Rot. Bonds4

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

4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (PubChem CID 116617349) has the molecular formula C12H21F3OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
PubChem CID116617349
Molecular FormulaC12H21F3OS
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCSC(F)(F)F)C1
InChIInChI=1S/C12H21F3OS/c1-8(2)9-3-4-11(16)10(7-9)5-6-17-12(13,14)15/h8-11,16H,3-7H2,1-2H3
InChIKeyXWMVPPLNDOBCQB-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol (CID 116617349) is 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is CC(C)C1CCC(O)C(CCSC(F)(F)F)C1.
What is the InChIKey of 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
The InChIKey is XWMVPPLNDOBCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3OS/c1-8(2)9-3-4-11(16)10(7-9)5-6-17-12(13,14)15/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol?
4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol has a molecular weight of 270.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 116617349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).