N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine

C8H14F3NS — CID 106429395

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine
SMILESC=CCCCNCCSC(F)(F)F
InChIInChI=1S/C8H14F3NS/c1-2-3-4-5-12-6-7-13-8(9,10)11/h2,12H,1,3-7H2
InChIKeyDTXMCBAVOIPSLR-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.80
Rot. Bonds7

About N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine

N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine (PubChem CID 106429395) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine
PubChem CID106429395
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine
SMILESC=CCCCNCCSC(F)(F)F
InChIInChI=1S/C8H14F3NS/c1-2-3-4-5-12-6-7-13-8(9,10)11/h2,12H,1,3-7H2
InChIKeyDTXMCBAVOIPSLR-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(trifluoromethylsulfanyl)ethyl]hex-5-en-2-amine
CID 104581858
4,4,4-trifluoro-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106427682
3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427931
2-methylidene-N-[2-(trifluoromethylsulfanyl)ethyl]butan-1-amine
CID 106429092
N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine
CID 106429121
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 106429265
(E)-N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-en-1-amine
CID 116615771
N-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 116615772
N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-2-amine
CID 116615774
N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
N-(2-methylsulfanylethyl)pent-4-en-1-amine
CID 64315147
N-(2-prop-2-enylsulfanylethyl)pent-4-en-1-amine
CID 106427930

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine (CID 106429395) is N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine is C=CCCCNCCSC(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine?
The InChIKey is DTXMCBAVOIPSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-2-3-4-5-12-6-7-13-8(9,10)11/h2,12H,1,3-7H2.
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine is sourced from PubChem (CID 106429395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).