2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine

C9H16F3NS — CID 60884497

IUPAC2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine
SMILESNCC(SC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c10-9(11,12)8(6-13)14-7-4-2-1-3-5-7/h7-8H,1-6,13H2
InChIKeyIXUMWYXCNYBJGM-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds3

About 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine

2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine (PubChem CID 60884497) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine
PubChem CID60884497
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine
SMILESNCC(SC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c10-9(11,12)8(6-13)14-7-4-2-1-3-5-7/h7-8H,1-6,13H2
InChIKeyIXUMWYXCNYBJGM-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4,5,5,5-Pentafluoropentylsulfanyl)propan-1-amine
CID 15485804
2-(3,3,4,4,5,5,6,6,6-Nonafluorohexylsulfanyl)ethanamine
CID 87277641
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylsulfanyl)ethanamine
CID 87277642
3-(2-Fluorocyclohexyl)sulfanylpropan-1-amine
CID 140479046
3-(4,4-difluorocyclohexyl)sulfanyl-N-methylbutan-1-amine
CID 141321218
2-(4,4,6,6-Tetrafluorooctylsulfanyl)ethanamine
CID 161976444
2-(Cyclohexylthio)ethanamine
CID 303814
3-Cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine
CID 60885582
3-Cyclohexylsulfanyl-4,4,4-trifluorobutan-2-amine
CID 61647694
2-Cyclohexylsulfanyl-1,1,1-trifluoropentan-3-amine
CID 61648601
2-cyclohexylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62581522
N-(2-cyclohexylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 62581891

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine (CID 60884497) is 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine is NCC(SC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is IXUMWYXCNYBJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c10-9(11,12)8(6-13)14-7-4-2-1-3-5-7/h7-8H,1-6,13H2.
What are the key properties of 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine?
2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 60884497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).