1-fluorohept-3-ene-2,5-diamine

C7H15FN2 — CID 54476360

IUPAC1-fluorohept-3-ene-2,5-diamine
SMILESCCC(N)C=CC(N)CF
InChIInChI=1S/C7H15FN2/c1-2-6(9)3-4-7(10)5-8/h3-4,6-7H,2,5,9-10H2,1H3
InChIKeyXLWANJSQQCEWCD-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.58
Rot. Bonds4

About 1-fluorohept-3-ene-2,5-diamine

1-fluorohept-3-ene-2,5-diamine (PubChem CID 54476360) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-fluorohept-3-ene-2,5-diamine.

Molecular Properties

Compound Name1-fluorohept-3-ene-2,5-diamine
PubChem CID54476360
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name1-fluorohept-3-ene-2,5-diamine
SMILESCCC(N)C=CC(N)CF
InChIInChI=1S/C7H15FN2/c1-2-6(9)3-4-7(10)5-8/h3-4,6-7H,2,5,9-10H2,1H3
InChIKeyXLWANJSQQCEWCD-UHFFFAOYSA-N
XLogP0.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-fluorohept-3-ene-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluorohept-3-ene-2,5-diamine
CID 54131887
(3Z)-5-aminohepta-1,3-dien-2-ol
CID 147712752
non-4-en-3-amine
CID 123679589
1-fluoropropan-1-amine
CID 18761775
(E)-1-(4-methylphenyl)pent-1-en-3-amine
CID 10583398
3,6-dimethyloct-4-ene
CID 73165576
1-fluoropropan-1-amine;hydrochloride
CID 173116737
5-ethylhept-4-en-3-amine;hydrochloride
CID 173326554
1-fluoro-4-methylhex-3-ene-2,5-diamine
CID 54068661
2-aminobutanal;ethoxyethane
CID 174799837
1,6-dichlorohex-3-ene-2,5-diamine
CID 175120445
hexane-3,4-diamine
CID 12656175

Frequently Asked Questions

What is the IUPAC name of 1-fluorohept-3-ene-2,5-diamine?
The IUPAC name of 1-fluorohept-3-ene-2,5-diamine (CID 54476360) is 1-fluorohept-3-ene-2,5-diamine.
What is the SMILES notation for 1-fluorohept-3-ene-2,5-diamine?
The canonical SMILES for 1-fluorohept-3-ene-2,5-diamine is CCC(N)C=CC(N)CF.
What is the InChIKey of 1-fluorohept-3-ene-2,5-diamine?
The InChIKey is XLWANJSQQCEWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-2-6(9)3-4-7(10)5-8/h3-4,6-7H,2,5,9-10H2,1H3.
What are the key properties of 1-fluorohept-3-ene-2,5-diamine?
1-fluorohept-3-ene-2,5-diamine has a molecular weight of 146.21 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohept-3-ene-2,5-diamine is sourced from PubChem (CID 54476360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).