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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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).