2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride

C10H14FN — CID 144950409

IUPAC2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride
SMILESCCC1=C(/C(F)=N/C)CCC=C1
InChIInChI=1S/C10H14FN/c1-3-8-6-4-5-7-9(8)10(11)12-2/h4,6H,3,5,7H2,1-2H3/b12-10-
InChIKeyAJVOXWWHTPWPBD-BENRWUELSA-N
MW167.23 g/mol
LogP3.04
Rot. Bonds2

About 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride

2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride (PubChem CID 144950409) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride.

Molecular Properties

Compound Name2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride
PubChem CID144950409
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride
SMILESCCC1=C(/C(F)=N/C)CCC=C1
InChIInChI=1S/C10H14FN/c1-3-8-6-4-5-7-9(8)10(11)12-2/h4,6H,3,5,7H2,1-2H3/b12-10-
InChIKeyAJVOXWWHTPWPBD-BENRWUELSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 142275946
1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine
CID 143326041
(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
CID 143981182
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride
CID 169231431
4-fluoro-1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 170254474
(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine
CID 171555436
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
CID 142546381
(2Z,6Z)-2-fluoro-N,3-dimethyl-4,5-dimethylideneocta-2,6-dien-1-imine
CID 144036268

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride?
The IUPAC name of 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride (CID 144950409) is 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride.
What is the SMILES notation for 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride?
The canonical SMILES for 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride is CCC1=C(/C(F)=N/C)CCC=C1.
What is the InChIKey of 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride?
The InChIKey is AJVOXWWHTPWPBD-BENRWUELSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-8-6-4-5-7-9(8)10(11)12-2/h4,6H,3,5,7H2,1-2H3/b12-10-.
What are the key properties of 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride?
2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride has a molecular weight of 167.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride is sourced from PubChem (CID 144950409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).