7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine

C10H19F3N2 — CID 153039694

IUPAC7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine
SMILES[H]/N=C(\C)CCCCCCNCC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-9(14)6-4-2-3-5-7-15-8-10(11,12)13/h14-15H,2-8H2,1H3/b14-9+
InChIKeyVFKYDLFLESWMEN-NTEUORMPSA-N
MW224.27 g/mol
LogP3.13
Rot. Bonds8

About 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine

7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine (PubChem CID 153039694) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine.

Molecular Properties

Compound Name7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine
PubChem CID153039694
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine
SMILES[H]/N=C(\C)CCCCCCNCC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-9(14)6-4-2-3-5-7-15-8-10(11,12)13/h14-15H,2-8H2,1H3/b14-9+
InChIKeyVFKYDLFLESWMEN-NTEUORMPSA-N
XLogP3.13
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine?
The IUPAC name of 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine (CID 153039694) is 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine.
What is the SMILES notation for 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine?
The canonical SMILES for 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine is [H]/N=C(\C)CCCCCCNCC(F)(F)F.
What is the InChIKey of 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine?
The InChIKey is VFKYDLFLESWMEN-NTEUORMPSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-9(14)6-4-2-3-5-7-15-8-10(11,12)13/h14-15H,2-8H2,1H3/b14-9+.
What are the key properties of 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine?
7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine is sourced from PubChem (CID 153039694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).