(1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine

C11H14FN3 — CID 142965819

IUPAC(1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C(\N)N(N)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3/c1-3-8(2)11(13)15(14)10-6-4-9(12)5-7-10/h3-7H,1,13-14H2,2H3/b11-8+
InChIKeyWWGPAEWETAIYAW-DHZHZOJOSA-N
MW207.25 g/mol
LogP1.88
Rot. Bonds3

About (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine

(1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine (PubChem CID 142965819) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine
PubChem CID142965819
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name(1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C(\N)N(N)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3/c1-3-8(2)11(13)15(14)10-6-4-9(12)5-7-10/h3-7H,1,13-14H2,2H3/b11-8+
InChIKeyWWGPAEWETAIYAW-DHZHZOJOSA-N
XLogP1.88
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine (CID 142965819) is (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine is C=C/C(C)=C(\N)N(N)c1ccc(F)cc1.
What is the InChIKey of (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine?
The InChIKey is WWGPAEWETAIYAW-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H14FN3/c1-3-8(2)11(13)15(14)10-6-4-9(12)5-7-10/h3-7H,1,13-14H2,2H3/b11-8+.
What are the key properties of (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine?
(1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine has a molecular weight of 207.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(N-amino-4-fluoroanilino)-2-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 142965819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).