(2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine

C6H9FN2 — CID 142099703

IUPAC(2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=C/C(F)=C(/CN)N=C
InChIInChI=1S/C6H9FN2/c1-3-5(7)6(4-8)9-2/h3H,1-2,4,8H2/b6-5+
InChIKeyQQSDFNSCOYUSBW-AATRIKPKSA-N
MW128.15 g/mol
LogP1.01
Rot. Bonds3

About (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine

(2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine (PubChem CID 142099703) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine
PubChem CID142099703
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=C/C(F)=C(/CN)N=C
InChIInChI=1S/C6H9FN2/c1-3-5(7)6(4-8)9-2/h3H,1-2,4,8H2/b6-5+
InChIKeyQQSDFNSCOYUSBW-AATRIKPKSA-N
XLogP1.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine (CID 142099703) is (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine is C=C/C(F)=C(/CN)N=C.
What is the InChIKey of (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine?
The InChIKey is QQSDFNSCOYUSBW-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9FN2/c1-3-5(7)6(4-8)9-2/h3H,1-2,4,8H2/b6-5+.
What are the key properties of (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine?
(2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine has a molecular weight of 128.15 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-fluoro-2-(methylideneamino)penta-2,4-dien-1-amine is sourced from PubChem (CID 142099703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).