(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine

C8H10FN — CID 135171424

IUPAC(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILES[H]/N=C/C1=C(C)CCC=C1F
InChIInChI=1S/C8H10FN/c1-6-3-2-4-8(9)7(6)5-10/h4-5,10H,2-3H2,1H3/b10-5+
InChIKeyUTVKZMJQQVZQJG-BJMVGYQFSA-N
MW139.17 g/mol
LogP2.60
Rot. Bonds1

About (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine

(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 135171424) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound Name(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID135171424
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine
SMILES[H]/N=C/C1=C(C)CCC=C1F
InChIInChI=1S/C8H10FN/c1-6-3-2-4-8(9)7(6)5-10/h4-5,10H,2-3H2,1H3/b10-5+
InChIKeyUTVKZMJQQVZQJG-BJMVGYQFSA-N
XLogP2.60
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-6,6,6-trifluoro-5-methyl-2-propylhexa-2,4-dien-1-imine
CID 89697918
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
[7-Fluoro-3-[1-(2-methanimidoyl-3-methylidenecyclohexa-1,5-dien-1-yl)buta-1,2-dienyl]cyclohepta-1,3,4-trien-1-yl]methanimine
CID 123577980
(4-Fluorocyclohexa-1,3-dien-1-yl)methanimine
CID 123586427
[2-[1-(5-Fluoro-6-methanimidoylcyclohepta-1,2,4,6-tetraen-1-yl)buta-1,2-dienyl]cyclohexa-1,3-dien-1-yl]methanimine
CID 123702818
4,5-Di(ethylidene)-3-fluoropyridin-2-amine
CID 123974610
(2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine
CID 138703082
(2E,3Z,6E,8Z)-2-ethylidene-6-fluoro-5-methylidenedeca-3,6,8-trien-1-imine
CID 156073483
(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110
(2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine
CID 166651452
(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 166669652

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine (CID 135171424) is (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine is [H]/N=C/C1=C(C)CCC=C1F.
What is the InChIKey of (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is UTVKZMJQQVZQJG-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-3-2-4-8(9)7(6)5-10/h4-5,10H,2-3H2,1H3/b10-5+.
What are the key properties of (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine?
(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 139.17 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 135171424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).