1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol

C11H19F3OS — CID 65139989

IUPAC1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)CSC1CCCCC1
InChIInChI=1S/C11H19F3OS/c12-11(13,14)7-6-9(15)8-16-10-4-2-1-3-5-10/h9-10,15H,1-8H2
InChIKeyAWDODVPKXFCKDG-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.76
Rot. Bonds5

About 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol

1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol (PubChem CID 65139989) has the molecular formula C11H19F3OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol
PubChem CID65139989
Molecular FormulaC11H19F3OS
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Name1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol
SMILESOC(CCC(F)(F)F)CSC1CCCCC1
InChIInChI=1S/C11H19F3OS/c12-11(13,14)7-6-9(15)8-16-10-4-2-1-3-5-10/h9-10,15H,1-8H2
InChIKeyAWDODVPKXFCKDG-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol (CID 65139989) is 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol is OC(CCC(F)(F)F)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol?
The InChIKey is AWDODVPKXFCKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3OS/c12-11(13,14)7-6-9(15)8-16-10-4-2-1-3-5-10/h9-10,15H,1-8H2.
What are the key properties of 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol?
1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol has a molecular weight of 256.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 65139989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).