N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine

C10H18F3NS — CID 106429121

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine
SMILESC=CCCCCCNCCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-2-3-4-5-6-7-14-8-9-15-10(11,12)13/h2,14H,1,3-9H2
InChIKeyQQZHAHWQNGSUGW-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.58
Rot. Bonds9

About N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine

N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine (PubChem CID 106429121) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine
PubChem CID106429121
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine
SMILESC=CCCCCCNCCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c1-2-3-4-5-6-7-14-8-9-15-10(11,12)13/h2,14H,1,3-9H2
InChIKeyQQZHAHWQNGSUGW-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.58
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'}

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Related Compounds

N-[2-(trifluoromethylsulfanyl)ethyl]hex-5-en-2-amine
CID 104581858
6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine
CID 104925082
2-(cyclopenten-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106174177
4,4,4-trifluoro-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106427682
N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-1-amine
CID 106429395
N-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-amine
CID 106429467
N-(2,2,2-trifluoroethyl)hept-6-en-1-amine
CID 107006520
N-(3,3,3-trifluoropropyl)hept-6-en-1-amine
CID 107006823
N-(2,2-difluoroethyl)hept-6-en-1-amine
CID 107007033
N-(4,4,4-trifluorobutyl)hept-6-en-1-amine
CID 107007035
N-(5,5,5-trifluoropentyl)hept-6-en-1-amine
CID 107007036
N-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-3-en-1-amine
CID 116615629

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine (CID 106429121) is N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine is C=CCCCCCNCCSC(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine?
The InChIKey is QQZHAHWQNGSUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-2-3-4-5-6-7-14-8-9-15-10(11,12)13/h2,14H,1,3-9H2.
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]hept-6-en-1-amine is sourced from PubChem (CID 106429121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).