(E)-6-fluoro-3-methylhex-2-ene-1,5-diamine

C7H15FN2 — CID 88698209

IUPAC(E)-6-fluoro-3-methylhex-2-ene-1,5-diamine
SMILESC/C(=C\CN)CC(N)CF
InChIInChI=1S/C7H15FN2/c1-6(2-3-9)4-7(10)5-8/h2,7H,3-5,9-10H2,1H3/b6-2+
InChIKeyDFZWOEBYVPZBOC-QHHAFSJGSA-N
MW146.21 g/mol
LogP0.58
Rot. Bonds4

About (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine

(E)-6-fluoro-3-methylhex-2-ene-1,5-diamine (PubChem CID 88698209) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-6-fluoro-3-methylhex-2-ene-1,5-diamine
PubChem CID88698209
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(E)-6-fluoro-3-methylhex-2-ene-1,5-diamine
SMILESC/C(=C\CN)CC(N)CF
InChIInChI=1S/C7H15FN2/c1-6(2-3-9)4-7(10)5-8/h2,7H,3-5,9-10H2,1H3/b6-2+
InChIKeyDFZWOEBYVPZBOC-QHHAFSJGSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine?
The IUPAC name of (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine (CID 88698209) is (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine.
What is the SMILES notation for (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine?
The canonical SMILES for (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine is C/C(=C\CN)CC(N)CF.
What is the InChIKey of (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine?
The InChIKey is DFZWOEBYVPZBOC-QHHAFSJGSA-N. The full InChI is InChI=1S/C7H15FN2/c1-6(2-3-9)4-7(10)5-8/h2,7H,3-5,9-10H2,1H3/b6-2+.
What are the key properties of (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine?
(E)-6-fluoro-3-methylhex-2-ene-1,5-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 (E)-6-fluoro-3-methylhex-2-ene-1,5-diamine is sourced from PubChem (CID 88698209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).