N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine

C10H9ClFN — CID 145222315

IUPACN-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=C(F)C=C/C1=N\C=C(/C)Cl
InChIInChI=1S/C10H9ClFN/c1-7-5-9(12)3-4-10(7)13-6-8(2)11/h3-6H,1H2,2H3/b8-6+,13-10+
InChIKeyVSTXFFKMMUYXQB-YXBXOZLWSA-N
MW197.64 g/mol
LogP3.51
Rot. Bonds1

About N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine

N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 145222315) has the molecular formula C10H9ClFN and a molecular weight of 197.64 g/mol. Its IUPAC name is N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID145222315
Molecular FormulaC10H9ClFN
Molecular Weight197.64 g/mol
Exact Mass197.04
IUPAC NameN-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=C(F)C=C/C1=N\C=C(/C)Cl
InChIInChI=1S/C10H9ClFN/c1-7-5-9(12)3-4-10(7)13-6-8(2)11/h3-6H,1H2,2H3/b8-6+,13-10+
InChIKeyVSTXFFKMMUYXQB-YXBXOZLWSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 53.51
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

6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine
CID 91491056
(Z)-N-[(1E)-3-chloro-4-fluoro-5-methylhexa-1,3-dienyl]hept-4-en-3-imine
CID 123885784
N-[(2Z)-4-chloro-1,1,1-trifluoropenta-2,4-dien-2-yl]-4-ethylcyclohexa-2,4-dien-1-imine
CID 141944715
(6E)-6-(1-chloropropylidene)-3-(1,1-difluoroethyl)-N-methylcyclohexa-2,4-dien-1-imine
CID 142290673
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 144248551
7-Chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
CID 150770043
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(5Z,7E)-2-chloro-7-fluoro-N-methyl-4-methylidenenona-1,5,7-trien-3-imine
CID 166807621
(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
CID 166976493
(6Z)-N-ethenyl-4-fluoro-6-(2-fluoroprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 170142846
(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine
CID 171555436

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine (CID 145222315) is N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine is C=C1C=C(F)C=C/C1=N\C=C(/C)Cl.
What is the InChIKey of N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is VSTXFFKMMUYXQB-YXBXOZLWSA-N. The full InChI is InChI=1S/C10H9ClFN/c1-7-5-9(12)3-4-10(7)13-6-8(2)11/h3-6H,1H2,2H3/b8-6+,13-10+.
What are the key properties of N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 197.64 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-chloroprop-1-enyl]-4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 145222315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).