(2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide

C17H23F2N3 — CID 163864124

IUPAC(2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide
SMILES[H]/N=C(N)/C=C(NC/C(C=C)=C/C=C(\C)F)/C(C)=C/C(F)=C\C
InChIInChI=1S/C17H23F2N3/c1-5-14(8-7-13(4)18)11-22-16(10-17(20)21)12(3)9-15(19)6-2/h5-10,22H,1,11H2,2-4H3,(H3,20,21)/b12-9+,13-7+,14-8+,15-6+,16-10-
InChIKeyPFDBUJSUBMEQOX-CTCUYASKSA-N
MW307.39 g/mol
LogP4.20
Rot. Bonds8

About (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide

(2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide (PubChem CID 163864124) has the molecular formula C17H23F2N3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide.

Molecular Properties

Compound Name(2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide
PubChem CID163864124
Molecular FormulaC17H23F2N3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide
SMILES[H]/N=C(N)/C=C(NC/C(C=C)=C/C=C(\C)F)/C(C)=C/C(F)=C\C
InChIInChI=1S/C17H23F2N3/c1-5-14(8-7-13(4)18)11-22-16(10-17(20)21)12(3)9-15(19)6-2/h5-10,22H,1,11H2,2-4H3,(H3,20,21)/b12-9+,13-7+,14-8+,15-6+,16-10-
InChIKeyPFDBUJSUBMEQOX-CTCUYASKSA-N
XLogP4.20
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide with MolForge

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Related Compounds

(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide
CID 165410656
N'-ethyl-N-[(4E)-2-[(4-fluoro-3-methylcyclohepta-1,3,5-trien-1-yl)methylamino]-5,6-dimethylhepta-1,4,6-trien-3-ylidene]ethanimidamide
CID 143344774
(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide
CID 137282310
N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide
CID 154930903
4-methyl-N-methylidene-3-(2-methylpropylamino)-N'-prop-2-enylpenta-2,4-dienimidamide
CID 174042525
(2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide
CID 177354927

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide?
The IUPAC name of (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide (CID 163864124) is (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide.
What is the SMILES notation for (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide?
The canonical SMILES for (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide is [H]/N=C(N)/C=C(NC/C(C=C)=C/C=C(\C)F)/C(C)=C/C(F)=C\C.
What is the InChIKey of (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide?
The InChIKey is PFDBUJSUBMEQOX-CTCUYASKSA-N. The full InChI is InChI=1S/C17H23F2N3/c1-5-14(8-7-13(4)18)11-22-16(10-17(20)21)12(3)9-15(19)6-2/h5-10,22H,1,11H2,2-4H3,(H3,20,21)/b12-9+,13-7+,14-8+,15-6+,16-10-.
What are the key properties of (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide?
(2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide has a molecular weight of 307.39 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide is sourced from PubChem (CID 163864124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).