1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine

C9H16F3NS — CID 103778148

IUPAC1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
SMILESCCC(NCCSC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NS/c1-2-8(7-3-4-7)13-5-6-14-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyQKZAWRFWVSEAAE-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.02
Rot. Bonds6

About 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine

1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine (PubChem CID 103778148) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
PubChem CID103778148
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
SMILESCCC(NCCSC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3NS/c1-2-8(7-3-4-7)13-5-6-14-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyQKZAWRFWVSEAAE-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.02
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

3-methyl-6-N-(4-methylsulfanylbutyl)-1-N-(2,2,2-trifluoroethyl)heptane-1,6-diamine
CID 146254139
(2R)-3-methyl-N-[(1R)-2,2,2-trifluoro-1-methylsulfanylethyl]butan-2-amine
CID 166766956
1-cyclopropyl-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64491083
N-(1-cyclopropylpropyl)-3,3,3-trifluoropropan-1-amine
CID 64917595
5,5,5-trifluoro-1-(2-methylpropylsulfanyl)-N-propylpentan-2-amine
CID 65135087
N-ethyl-5,5,5-trifluoro-1-(2-methylpropylsulfanyl)pentan-2-amine
CID 65135750
N-(1-cyclopropylpropyl)-4,4,4-trifluorobutan-1-amine
CID 81343836
3-methyl-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-1-amine
CID 102905520
3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
CID 103578399
N-[2-(trifluoromethylsulfanyl)ethyl]heptan-4-amine
CID 103729462
1-cyclobutyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 103778092
1-(1-methylcyclopropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 103778134

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine (CID 103778148) is 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine is CCC(NCCSC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
The InChIKey is QKZAWRFWVSEAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-2-8(7-3-4-7)13-5-6-14-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine?
1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 103778148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).