(2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine

C10H15FN2 — CID 138699183

IUPAC(2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine
SMILESC=C/C(CN/N=C\C)=C(F)\C=C/C
InChIInChI=1S/C10H15FN2/c1-4-7-10(11)9(5-2)8-13-12-6-3/h4-7,13H,2,8H2,1,3H3/b7-4-,10-9-,12-6-
InChIKeyJOTOOBKQPNYYPQ-SUHDSNEJSA-N
MW182.24 g/mol
LogP2.57
Rot. Bonds5

About (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine

(2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine (PubChem CID 138699183) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine
PubChem CID138699183
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name(2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine
SMILESC=C/C(CN/N=C\C)=C(F)\C=C/C
InChIInChI=1S/C10H15FN2/c1-4-7-10(11)9(5-2)8-13-12-6-3/h4-7,13H,2,8H2,1,3H3/b7-4-,10-9-,12-6-
InChIKeyJOTOOBKQPNYYPQ-SUHDSNEJSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile
CID 143717901
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
CID 143567445
phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate
CID 89398517
(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(2E,4E,6E)-3,5-difluoro-4-methylocta-2,4,6-triene
CID 88889266
(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
CID 145191934
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
(1Z)-N-[(E)-ethylideneamino]buta-1,3-dien-1-amine
CID 156545040

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine (CID 138699183) is (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine is C=C/C(CN/N=C\C)=C(F)\C=C/C.
What is the InChIKey of (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine?
The InChIKey is JOTOOBKQPNYYPQ-SUHDSNEJSA-N. The full InChI is InChI=1S/C10H15FN2/c1-4-7-10(11)9(5-2)8-13-12-6-3/h4-7,13H,2,8H2,1,3H3/b7-4-,10-9-,12-6-.
What are the key properties of (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine?
(2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine has a molecular weight of 182.24 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-ethenyl-N-[(Z)-ethylideneamino]-3-fluorohexa-2,4-dien-1-amine is sourced from PubChem (CID 138699183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).