5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine

C10H12FN — CID 176976134

IUPAC5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(F)C(C)=C(CC)C1=C
InChIInChI=1S/C10H12FN/c1-4-8-6(2)9(11)5-10(12)7(8)3/h5,12H,3-4H2,1-2H3/b12-10+
InChIKeyCTMYZXFAWPODSG-ZRDIBKRKSA-N
MW165.21 g/mol
LogP3.16
Rot. Bonds1

About 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine

5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 176976134) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID176976134
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(F)C(C)=C(CC)C1=C
InChIInChI=1S/C10H12FN/c1-4-8-6(2)9(11)5-10(12)7(8)3/h5,12H,3-4H2,1-2H3/b12-10+
InChIKeyCTMYZXFAWPODSG-ZRDIBKRKSA-N
XLogP3.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
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 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine (CID 176976134) is 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=C(F)C(C)=C(CC)C1=C.
What is the InChIKey of 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is CTMYZXFAWPODSG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H12FN/c1-4-8-6(2)9(11)5-10(12)7(8)3/h5,12H,3-4H2,1-2H3/b12-10+.
What are the key properties of 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine?
5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 165.21 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 176976134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).