(1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine

C11H16F2N2 — CID 163535079

IUPAC(1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine
SMILESC/C=C/C(C)=C(/F)N(C)/C(F)=C\N=C\C
InChIInChI=1S/C11H16F2N2/c1-5-7-9(3)11(13)15(4)10(12)8-14-6-2/h5-8H,1-4H3/b7-5+,10-8-,11-9-,14-6+
InChIKeyDWFWZGKFECUQCI-VYCJNSJMSA-N
MW214.26 g/mol
LogP3.55
Rot. Bonds4

About (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine

(1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine (PubChem CID 163535079) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine
PubChem CID163535079
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine
SMILESC/C=C/C(C)=C(/F)N(C)/C(F)=C\N=C\C
InChIInChI=1S/C11H16F2N2/c1-5-7-9(3)11(13)15(4)10(12)8-14-6-2/h5-8H,1-4H3/b7-5+,10-8-,11-9-,14-6+
InChIKeyDWFWZGKFECUQCI-VYCJNSJMSA-N
XLogP3.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine (CID 163535079) is (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine is C/C=C/C(C)=C(/F)N(C)/C(F)=C\N=C\C.
What is the InChIKey of (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine?
The InChIKey is DWFWZGKFECUQCI-VYCJNSJMSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-5-7-9(3)11(13)15(4)10(12)8-14-6-2/h5-8H,1-4H3/b7-5+,10-8-,11-9-,14-6+.
What are the key properties of (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine?
(1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine has a molecular weight of 214.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N-[(E)-2-(ethylideneamino)-1-fluoroethenyl]-1-fluoro-N,2-dimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 163535079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).