N-(trifluoromethylsulfanyl)hexan-1-amine

C7H14F3NS — CID 129294821

IUPACN-(trifluoromethylsulfanyl)hexan-1-amine
SMILESCCCCCCNSC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-2-3-4-5-6-11-12-7(8,9)10/h11H,2-6H2,1H3
InChIKeyDECIOKIMYSQKFA-UHFFFAOYSA-N
MW201.26 g/mol
LogP3.32
Rot. Bonds6

About N-(trifluoromethylsulfanyl)hexan-1-amine

N-(trifluoromethylsulfanyl)hexan-1-amine (PubChem CID 129294821) has the molecular formula C7H14F3NS and a molecular weight of 201.26 g/mol. Its IUPAC name is N-(trifluoromethylsulfanyl)hexan-1-amine.

Molecular Properties

Compound NameN-(trifluoromethylsulfanyl)hexan-1-amine
PubChem CID129294821
Molecular FormulaC7H14F3NS
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC NameN-(trifluoromethylsulfanyl)hexan-1-amine
SMILESCCCCCCNSC(F)(F)F
InChIInChI=1S/C7H14F3NS/c1-2-3-4-5-6-11-12-7(8,9)10/h11H,2-6H2,1H3
InChIKeyDECIOKIMYSQKFA-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(trifluoromethylsulfanyl)octan-1-amine
CID 129294889
N-(3,3,3-trifluoropropylsulfanyl)dodecan-1-amine
CID 166765005
N-(trichloromethylsulfanyl)butan-1-amine
CID 12791453
N-methylsulfanylhexan-1-amine
CID 88734543
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254
N-propylsulfanylnonan-1-amine
CID 150399571
N-hydroxysulfanylhexan-1-amine
CID 89110477
N-(2,2,2-trifluoroethoxy)dodecan-1-amine
CID 82721644
N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine
CID 175131707
N-nonyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212400
N-decyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210328
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfanyl)hexan-1-amine?
The IUPAC name of N-(trifluoromethylsulfanyl)hexan-1-amine (CID 129294821) is N-(trifluoromethylsulfanyl)hexan-1-amine.
What is the SMILES notation for N-(trifluoromethylsulfanyl)hexan-1-amine?
The canonical SMILES for N-(trifluoromethylsulfanyl)hexan-1-amine is CCCCCCNSC(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfanyl)hexan-1-amine?
The InChIKey is DECIOKIMYSQKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NS/c1-2-3-4-5-6-11-12-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of N-(trifluoromethylsulfanyl)hexan-1-amine?
N-(trifluoromethylsulfanyl)hexan-1-amine has a molecular weight of 201.26 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfanyl)hexan-1-amine is sourced from PubChem (CID 129294821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).