(3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine

C6H10FN — CID 130336732

IUPAC(3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine
SMILESC=C(NC)/C(F)=C\C
InChIInChI=1S/C6H10FN/c1-4-6(7)5(2)8-3/h4,8H,2H2,1,3H3/b6-4+
InChIKeyQZNNOVXCORZBFY-GQCTYLIASA-N
MW115.15 g/mol
LogP1.59
Rot. Bonds2

About (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine

(3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine (PubChem CID 130336732) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine
PubChem CID130336732
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine
SMILESC=C(NC)/C(F)=C\C
InChIInChI=1S/C6H10FN/c1-4-6(7)5(2)8-3/h4,8H,2H2,1,3H3/b6-4+
InChIKeyQZNNOVXCORZBFY-GQCTYLIASA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine?
The IUPAC name of (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine (CID 130336732) is (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine is C=C(NC)/C(F)=C\C.
What is the InChIKey of (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine?
The InChIKey is QZNNOVXCORZBFY-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10FN/c1-4-6(7)5(2)8-3/h4,8H,2H2,1,3H3/b6-4+.
What are the key properties of (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine?
(3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine has a molecular weight of 115.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine is sourced from PubChem (CID 130336732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).