4-(2-fluoroethylimino)pent-2-en-2-amine

C7H13FN2 — CID 163611570

IUPAC4-(2-fluoroethylimino)pent-2-en-2-amine
SMILESCC(N)=C/C(C)=N/CCF
InChIInChI=1S/C7H13FN2/c1-6(9)5-7(2)10-4-3-8/h5H,3-4,9H2,1-2H3/b6-5?,10-7+
InChIKeyGRBHKWMDJLLGAB-JDVLXEGBSA-N
MW144.19 g/mol
LogP1.28
Rot. Bonds3

About 4-(2-fluoroethylimino)pent-2-en-2-amine

4-(2-fluoroethylimino)pent-2-en-2-amine (PubChem CID 163611570) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 4-(2-fluoroethylimino)pent-2-en-2-amine.

Molecular Properties

Compound Name4-(2-fluoroethylimino)pent-2-en-2-amine
PubChem CID163611570
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name4-(2-fluoroethylimino)pent-2-en-2-amine
SMILESCC(N)=C/C(C)=N/CCF
InChIInChI=1S/C7H13FN2/c1-6(9)5-7(2)10-4-3-8/h5H,3-4,9H2,1-2H3/b6-5?,10-7+
InChIKeyGRBHKWMDJLLGAB-JDVLXEGBSA-N
XLogP1.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylimino)pent-2-en-2-amine?
The IUPAC name of 4-(2-fluoroethylimino)pent-2-en-2-amine (CID 163611570) is 4-(2-fluoroethylimino)pent-2-en-2-amine.
What is the SMILES notation for 4-(2-fluoroethylimino)pent-2-en-2-amine?
The canonical SMILES for 4-(2-fluoroethylimino)pent-2-en-2-amine is CC(N)=C/C(C)=N/CCF.
What is the InChIKey of 4-(2-fluoroethylimino)pent-2-en-2-amine?
The InChIKey is GRBHKWMDJLLGAB-JDVLXEGBSA-N. The full InChI is InChI=1S/C7H13FN2/c1-6(9)5-7(2)10-4-3-8/h5H,3-4,9H2,1-2H3/b6-5?,10-7+.
What are the key properties of 4-(2-fluoroethylimino)pent-2-en-2-amine?
4-(2-fluoroethylimino)pent-2-en-2-amine has a molecular weight of 144.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylimino)pent-2-en-2-amine is sourced from PubChem (CID 163611570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).