(2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine

C10H15F2NO2 — CID 134603930

IUPAC(2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine
SMILESC=CN/C(C)=C(OC)/C(F)=C(/F)COC
InChIInChI=1S/C10H15F2NO2/c1-5-13-7(2)10(15-4)9(12)8(11)6-14-3/h5,13H,1,6H2,2-4H3/b9-8-,10-7-
InChIKeyLOEQHIILOSYGSP-NFIXMJHSSA-N
MW219.23 g/mol
LogP2.39
Rot. Bonds6

About (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine

(2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine (PubChem CID 134603930) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine
PubChem CID134603930
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name(2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine
SMILESC=CN/C(C)=C(OC)/C(F)=C(/F)COC
InChIInChI=1S/C10H15F2NO2/c1-5-13-7(2)10(15-4)9(12)8(11)6-14-3/h5,13H,1,6H2,2-4H3/b9-8-,10-7-
InChIKeyLOEQHIILOSYGSP-NFIXMJHSSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,3-bis[(Z)-prop-1-enyl]-4H-1,4-oxazine
CID 129306342
(2Z,4Z)-N-ethenyl-3-methoxyhepta-2,4,6-trien-2-amine
CID 169623696

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine (CID 134603930) is (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine is C=CN/C(C)=C(OC)/C(F)=C(/F)COC.
What is the InChIKey of (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine?
The InChIKey is LOEQHIILOSYGSP-NFIXMJHSSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-5-13-7(2)10(15-4)9(12)8(11)6-14-3/h5,13H,1,6H2,2-4H3/b9-8-,10-7-.
What are the key properties of (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine?
(2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine has a molecular weight of 219.23 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-ethenyl-4,5-difluoro-3,6-dimethoxyhexa-2,4-dien-2-amine is sourced from PubChem (CID 134603930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).