6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine

C11H20F3NS — CID 104925082

IUPAC6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine
SMILESC=CCSCCNC(C)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NS/c1-3-8-16-9-7-15-10(2)5-4-6-11(12,13)14/h3,10,15H,1,4-9H2,2H3
InChIKeyHIVJLYKQYIAEPT-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.62
Rot. Bonds9

About 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine

6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine (PubChem CID 104925082) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine
PubChem CID104925082
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine
SMILESC=CCSCCNC(C)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NS/c1-3-8-16-9-7-15-10(2)5-4-6-11(12,13)14/h3,10,15H,1,4-9H2,2H3
InChIKeyHIVJLYKQYIAEPT-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.62
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 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-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-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914417
N-[2-(trifluoromethylsulfanyl)ethyl]hex-5-en-2-amine
CID 104581858
1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 106425391
4,4,4-trifluoro-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106427682
N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine
CID 106429121
6,6,6-trifluoro-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
CID 113327051
N-(4-ethylsulfanylbutan-2-yl)-6,6,6-trifluorohexan-2-amine
CID 113533870
N-ethyl-1-ethylsulfanyl-6,6,6-trifluorohexan-2-amine
CID 115516872
1-ethylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516874
N-ethyl-6,6,6-trifluoro-1-propylsulfanylhexan-2-amine
CID 115516879
6,6,6-trifluoro-N-propyl-1-propylsulfanylhexan-2-amine
CID 115516881
N-ethyl-6,6,6-trifluoro-1-propan-2-ylsulfanylhexan-2-amine
CID 115516885

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine (CID 104925082) is 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine is C=CCSCCNC(C)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine?
The InChIKey is HIVJLYKQYIAEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-3-8-16-9-7-15-10(2)5-4-6-11(12,13)14/h3,10,15H,1,4-9H2,2H3.
What are the key properties of 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine?
6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine is sourced from PubChem (CID 104925082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).