(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine

C7H10FN — CID 139473335

IUPAC(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine
SMILESC=CN/C(C)=C/C(=C)F
InChIInChI=1S/C7H10FN/c1-4-9-7(3)5-6(2)8/h4-5,9H,1-2H2,3H3/b7-5+
InChIKeyZKMLWTYEKSVLIT-FNORWQNLSA-N
MW127.16 g/mol
LogP2.11
Rot. Bonds3

About (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine

(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine (PubChem CID 139473335) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine
PubChem CID139473335
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine
SMILESC=CN/C(C)=C/C(=C)F
InChIInChI=1S/C7H10FN/c1-4-9-7(3)5-6(2)8/h4-5,9H,1-2H2,3H3/b7-5+
InChIKeyZKMLWTYEKSVLIT-FNORWQNLSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.11
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 (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine (CID 139473335) is (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine is C=CN/C(C)=C/C(=C)F.
What is the InChIKey of (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine?
The InChIKey is ZKMLWTYEKSVLIT-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-9-7(3)5-6(2)8/h4-5,9H,1-2H2,3H3/b7-5+.
What are the key properties of (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine?
(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine has a molecular weight of 127.16 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine is sourced from PubChem (CID 139473335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).