2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H20F3NS — CID 62581522

IUPAC2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)SC1CCCCC1
InChIInChI=1S/C11H20F3NS/c1-9(7-15-8-11(12,13)14)16-10-5-3-2-4-6-10/h9-10,15H,2-8H2,1H3
InChIKeyBNWRHFMOUCRGLQ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.59
Rot. Bonds5

About 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62581522) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62581522
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)SC1CCCCC1
InChIInChI=1S/C11H20F3NS/c1-9(7-15-8-11(12,13)14)16-10-5-3-2-4-6-10/h9-10,15H,2-8H2,1H3
InChIKeyBNWRHFMOUCRGLQ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62581522) is 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is BNWRHFMOUCRGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-9(7-15-8-11(12,13)14)16-10-5-3-2-4-6-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62581522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).