1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine

C11H20F3NS — CID 65139800

IUPAC1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)CSC1CCCCC1
InChIInChI=1S/C11H20F3NS/c12-11(13,14)7-6-9(15)8-16-10-4-2-1-3-5-10/h9-10H,1-8,15H2
InChIKeyUZPKIXYQSVUCRS-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.72
Rot. Bonds5

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

1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine (PubChem CID 65139800) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine
PubChem CID65139800
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)CSC1CCCCC1
InChIInChI=1S/C11H20F3NS/c12-11(13,14)7-6-9(15)8-16-10-4-2-1-3-5-10/h9-10H,1-8,15H2
InChIKeyUZPKIXYQSVUCRS-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.72
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-amine?
The IUPAC name of 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine (CID 65139800) is 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine is NC(CCC(F)(F)F)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is UZPKIXYQSVUCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c12-11(13,14)7-6-9(15)8-16-10-4-2-1-3-5-10/h9-10H,1-8,15H2.
What are the key properties of 1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine?
1-cyclohexylsulfanyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.72, 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-amine is sourced from PubChem (CID 65139800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).