(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine

C12H19FN2 — CID 170047278

IUPAC(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
SMILESC/C=C\C(CNC)=C(\N=C\C)C(/F)=C\C
InChIInChI=1S/C12H19FN2/c1-5-8-10(9-14-4)12(15-7-3)11(13)6-2/h5-8,14H,9H2,1-4H3/b8-5-,11-6+,12-10-,15-7+
InChIKeyHBFJYVGQTIYORZ-BYPHNVNNSA-N
MW210.30 g/mol
LogP3.00
Rot. Bonds5

About (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine

(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine (PubChem CID 170047278) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
PubChem CID170047278
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
SMILESC/C=C\C(CNC)=C(\N=C\C)C(/F)=C\C
InChIInChI=1S/C12H19FN2/c1-5-8-10(9-14-4)12(15-7-3)11(13)6-2/h5-8,14H,9H2,1-4H3/b8-5-,11-6+,12-10-,15-7+
InChIKeyHBFJYVGQTIYORZ-BYPHNVNNSA-N
XLogP3.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.00
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 (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine (CID 170047278) is (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine is C/C=C\C(CNC)=C(\N=C\C)C(/F)=C\C.
What is the InChIKey of (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine?
The InChIKey is HBFJYVGQTIYORZ-BYPHNVNNSA-N. The full InChI is InChI=1S/C12H19FN2/c1-5-8-10(9-14-4)12(15-7-3)11(13)6-2/h5-8,14H,9H2,1-4H3/b8-5-,11-6+,12-10-,15-7+.
What are the key properties of (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine?
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine has a molecular weight of 210.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 170047278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).