6-(trifluoromethylsulfanyl)hexan-2-amine

C7H14F3NS — CID 116627201

IUPAC6-(trifluoromethylsulfanyl)hexan-2-amine
SMILESCC(N)CCCCSC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-6(11)4-2-3-5-12-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyGRZNFBITHJAWCI-UHFFFAOYSA-N
MW201.26 g/mol
LogP2.76
Rot. Bonds5

About 6-(trifluoromethylsulfanyl)hexan-2-amine

6-(trifluoromethylsulfanyl)hexan-2-amine (PubChem CID 116627201) has the molecular formula C7H14F3NS and a molecular weight of 201.26 g/mol. Its IUPAC name is 6-(trifluoromethylsulfanyl)hexan-2-amine.

Molecular Properties

Compound Name6-(trifluoromethylsulfanyl)hexan-2-amine
PubChem CID116627201
Molecular FormulaC7H14F3NS
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC Name6-(trifluoromethylsulfanyl)hexan-2-amine
SMILESCC(N)CCCCSC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-6(11)4-2-3-5-12-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyGRZNFBITHJAWCI-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(trifluoromethylsulfanyl)pentane
CID 116617359
1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]propan-2-amine
CID 116616183
docosane-2,21-diamine
CID 150079956
1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627210
6-butylsulfanylhexan-2-amine
CID 64611512
1-(trifluoromethylsulfanyl)pentan-3-amine
CID 116627767
1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
CID 82853346
[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate
CID 88924333
3-(trifluoromethylsulfanyl)propan-1-amine chloride
CID 75530535
2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627253
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
6-(2-methoxyethylsulfanyl)hexan-2-amine
CID 64615572

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfanyl)hexan-2-amine?
The IUPAC name of 6-(trifluoromethylsulfanyl)hexan-2-amine (CID 116627201) is 6-(trifluoromethylsulfanyl)hexan-2-amine.
What is the SMILES notation for 6-(trifluoromethylsulfanyl)hexan-2-amine?
The canonical SMILES for 6-(trifluoromethylsulfanyl)hexan-2-amine is CC(N)CCCCSC(F)(F)F.
What is the InChIKey of 6-(trifluoromethylsulfanyl)hexan-2-amine?
The InChIKey is GRZNFBITHJAWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NS/c1-6(11)4-2-3-5-12-7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 6-(trifluoromethylsulfanyl)hexan-2-amine?
6-(trifluoromethylsulfanyl)hexan-2-amine has a molecular weight of 201.26 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfanyl)hexan-2-amine is sourced from PubChem (CID 116627201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).