(4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine

C8H10FN — CID 163700177

IUPAC(4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
SMILES[H]/N=C/C1C=CC(F)=C(C)C1
InChIInChI=1S/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-3,5,7,10H,4H2,1H3/b10-5+
InChIKeyKAIAJBUFEANHOQ-BJMVGYQFSA-N
MW139.17 g/mol
LogP2.46
Rot. Bonds1

About (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine

(4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 163700177) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound Name(4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
PubChem CID163700177
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
SMILES[H]/N=C/C1C=CC(F)=C(C)C1
InChIInChI=1S/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-3,5,7,10H,4H2,1H3/b10-5+
InChIKeyKAIAJBUFEANHOQ-BJMVGYQFSA-N
XLogP2.46
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 ≤ 52.46
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

2-[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-imine
CID 123684141
(6-Fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 135171424
[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
CID 139372794
(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine
CID 163413862
(4,6-Difluoro-3-iodo-5-methylcyclohexa-1,3-dien-1-yl)methanimine
CID 163708683
(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
CID 166907396
(2E)-7-methyl-2-(trifluoromethyl)octa-2,4-dien-1-imine
CID 173568444
(2E)-6-methyl-2-(trifluoromethyl)octa-2,4-dien-1-imine
CID 173568445
(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine
CID 143603539
(3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine
CID 145324654
(6Z)-2-ethyl-5-(trifluoromethyl)octa-4,6-dien-1-imine
CID 145644627
(2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine
CID 176928626

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine (CID 163700177) is (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine is [H]/N=C/C1C=CC(F)=C(C)C1.
What is the InChIKey of (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is KAIAJBUFEANHOQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-4-7(5-10)2-3-8(6)9/h2-3,5,7,10H,4H2,1H3/b10-5+.
What are the key properties of (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine?
(4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 139.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 163700177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).