3-ethylimino-1-fluoropropan-1-amine

C5H11FN2 — CID 126625611

IUPAC3-ethylimino-1-fluoropropan-1-amine
SMILESCC/N=C/CC(N)F
InChIInChI=1S/C5H11FN2/c1-2-8-4-3-5(6)7/h4-5H,2-3,7H2,1H3/b8-4+
InChIKeyXSTHGJYMIHOMQV-XBXARRHUSA-N
MW118.15 g/mol
LogP0.72
Rot. Bonds3

About 3-ethylimino-1-fluoropropan-1-amine

3-ethylimino-1-fluoropropan-1-amine (PubChem CID 126625611) has the molecular formula C5H11FN2 and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-ethylimino-1-fluoropropan-1-amine.

Molecular Properties

Compound Name3-ethylimino-1-fluoropropan-1-amine
PubChem CID126625611
Molecular FormulaC5H11FN2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC Name3-ethylimino-1-fluoropropan-1-amine
SMILESCC/N=C/CC(N)F
InChIInChI=1S/C5H11FN2/c1-2-8-4-3-5(6)7/h4-5H,2-3,7H2,1H3/b8-4+
InChIKeyXSTHGJYMIHOMQV-XBXARRHUSA-N
XLogP0.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-1-fluoropropan-1-amine?
The IUPAC name of 3-ethylimino-1-fluoropropan-1-amine (CID 126625611) is 3-ethylimino-1-fluoropropan-1-amine.
What is the SMILES notation for 3-ethylimino-1-fluoropropan-1-amine?
The canonical SMILES for 3-ethylimino-1-fluoropropan-1-amine is CC/N=C/CC(N)F.
What is the InChIKey of 3-ethylimino-1-fluoropropan-1-amine?
The InChIKey is XSTHGJYMIHOMQV-XBXARRHUSA-N. The full InChI is InChI=1S/C5H11FN2/c1-2-8-4-3-5(6)7/h4-5H,2-3,7H2,1H3/b8-4+.
What are the key properties of 3-ethylimino-1-fluoropropan-1-amine?
3-ethylimino-1-fluoropropan-1-amine has a molecular weight of 118.15 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-1-fluoropropan-1-amine is sourced from PubChem (CID 126625611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).