5-fluoro-2-methylpenta-2,4-diene-1,4-diamine

C6H11FN2 — CID 152735622

IUPAC5-fluoro-2-methylpenta-2,4-diene-1,4-diamine
SMILESCC(=CC(N)=CF)CN
InChIInChI=1S/C6H11FN2/c1-5(4-8)2-6(9)3-7/h2-3H,4,8-9H2,1H3
InChIKeyZYNRAUJFPZZIDH-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.66
Rot. Bonds2

About 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine

5-fluoro-2-methylpenta-2,4-diene-1,4-diamine (PubChem CID 152735622) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-methylpenta-2,4-diene-1,4-diamine
PubChem CID152735622
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name5-fluoro-2-methylpenta-2,4-diene-1,4-diamine
SMILESCC(=CC(N)=CF)CN
InChIInChI=1S/C6H11FN2/c1-5(4-8)2-6(9)3-7/h2-3H,4,8-9H2,1H3
InChIKeyZYNRAUJFPZZIDH-UHFFFAOYSA-N
XLogP0.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.66
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 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine?
The IUPAC name of 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine (CID 152735622) is 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine.
What is the SMILES notation for 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine?
The canonical SMILES for 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine is CC(=CC(N)=CF)CN.
What is the InChIKey of 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine?
The InChIKey is ZYNRAUJFPZZIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-5(4-8)2-6(9)3-7/h2-3H,4,8-9H2,1H3.
What are the key properties of 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine?
5-fluoro-2-methylpenta-2,4-diene-1,4-diamine has a molecular weight of 130.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylpenta-2,4-diene-1,4-diamine is sourced from PubChem (CID 152735622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).