(2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine

C8H15FN2 — CID 146392565

IUPAC(2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine
SMILESCC/C(N)=C(F)/C=C(/C)NC
InChIInChI=1S/C8H15FN2/c1-4-8(10)7(9)5-6(2)11-3/h5,11H,4,10H2,1-3H3/b6-5-,8-7+
InChIKeyIPUIUIYNYXRQFV-IGTJQSIKSA-N
MW158.22 g/mol
LogP1.66
Rot. Bonds3

About (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine

(2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine (PubChem CID 146392565) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine.

Molecular Properties

Compound Name(2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine
PubChem CID146392565
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine
SMILESCC/C(N)=C(F)/C=C(/C)NC
InChIInChI=1S/C8H15FN2/c1-4-8(10)7(9)5-6(2)11-3/h5,11H,4,10H2,1-3H3/b6-5-,8-7+
InChIKeyIPUIUIYNYXRQFV-IGTJQSIKSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine?
The IUPAC name of (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine (CID 146392565) is (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine.
What is the SMILES notation for (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine?
The canonical SMILES for (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine is CC/C(N)=C(F)/C=C(/C)NC.
What is the InChIKey of (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine?
The InChIKey is IPUIUIYNYXRQFV-IGTJQSIKSA-N. The full InChI is InChI=1S/C8H15FN2/c1-4-8(10)7(9)5-6(2)11-3/h5,11H,4,10H2,1-3H3/b6-5-,8-7+.
What are the key properties of (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine?
(2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine has a molecular weight of 158.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-fluoro-2-N-methylhepta-2,4-diene-2,5-diamine is sourced from PubChem (CID 146392565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).