[2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine

C8H11FN2 — CID 145143523

IUPAC[2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine
SMILESC/C=N/C1=C(CN)C(F)=CC1
InChIInChI=1S/C8H11FN2/c1-2-11-8-4-3-7(9)6(8)5-10/h2-3H,4-5,10H2,1H3/b11-2+
InChIKeyWMGRAZLEIRXNOU-BIIKFXOESA-N
MW154.19 g/mol
LogP1.55
Rot. Bonds2

About [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine

[2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine (PubChem CID 145143523) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine
PubChem CID145143523
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name[2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine
SMILESC/C=N/C1=C(CN)C(F)=CC1
InChIInChI=1S/C8H11FN2/c1-2-11-8-4-3-7(9)6(8)5-10/h2-3H,4-5,10H2,1H3/b11-2+
InChIKeyWMGRAZLEIRXNOU-BIIKFXOESA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine
CID 163860907
N-[(3E,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-trien-3-yl]ethanimine
CID 163986819
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
CID 177018825
3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine
CID 123814073
(2Z)-2-(ethylideneamino)-4-methylpenta-2,4-dien-1-amine
CID 142082963
2-(3-Methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine
CID 142322484
(2E)-2-[(Z)-2-methylbut-2-enylidene]pyrrol-3-amine
CID 163668779
(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine
CID 167113241
(2Z)-3-(ethylideneamino)-4-methylpenta-2,4-dien-2-amine
CID 141816856
1-[2-(Ethylideneamino)cyclopenta-1,4-dien-1-yl]ethenamine
CID 145144025
(1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine
CID 177316289

Frequently Asked Questions

What is the IUPAC name of [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine?
The IUPAC name of [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine (CID 145143523) is [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine.
What is the SMILES notation for [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine?
The canonical SMILES for [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine is C/C=N/C1=C(CN)C(F)=CC1.
What is the InChIKey of [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine?
The InChIKey is WMGRAZLEIRXNOU-BIIKFXOESA-N. The full InChI is InChI=1S/C8H11FN2/c1-2-11-8-4-3-7(9)6(8)5-10/h2-3H,4-5,10H2,1H3/b11-2+.
What are the key properties of [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine?
[2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine has a molecular weight of 154.19 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylideneamino)-5-fluorocyclopenta-1,4-dien-1-yl]methanamine is sourced from PubChem (CID 145143523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).