6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine

C8H11FN2 — CID 172601501

IUPAC6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine
SMILESC/N=C/C1=C(N)C(F)=CCC1
InChIInChI=1S/C8H11FN2/c1-11-5-6-3-2-4-7(9)8(6)10/h4-5H,2-3,10H2,1H3/b11-5+
InChIKeyCLMXAJXRAGIHIN-VZUCSPMQSA-N
MW154.19 g/mol
LogP1.55
Rot. Bonds1

About 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine

6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 172601501) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine
PubChem CID172601501
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine
SMILESC/N=C/C1=C(N)C(F)=CCC1
InChIInChI=1S/C8H11FN2/c1-11-5-6-3-2-4-7(9)8(6)10/h4-5H,2-3,10H2,1H3/b11-5+
InChIKeyCLMXAJXRAGIHIN-VZUCSPMQSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
4,5-Di(ethylidene)-3-fluoropyridin-2-amine
CID 123974610
(6-Fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 135171424
(3Z)-3,4-difluoro-5-methylidene-6-(2-methylprop-2-enylideneamino)hepta-1,3,6-trien-2-amine
CID 142056167
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
2-[(2-Fluorocyclohexa-1,3-dien-1-yl)iminomethyl]but-1-en-1-amine
CID 173676485
4-Imino-1-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]amino]but-2-en-2-amine
CID 162592923
(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
CID 177018825
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
2-Methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine
CID 130241556
(3E,5Z)-4-ethyl-5-methyl-3-(methyliminomethyl)octa-1,3,5,7-tetraen-2-amine
CID 134419995

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine (CID 172601501) is 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine is C/N=C/C1=C(N)C(F)=CCC1.
What is the InChIKey of 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is CLMXAJXRAGIHIN-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H11FN2/c1-11-5-6-3-2-4-7(9)8(6)10/h4-5H,2-3,10H2,1H3/b11-5+.
What are the key properties of 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine?
6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 154.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 172601501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).