4-fluoro-N-methylcyclohepta-2,6-dien-1-imine

C8H10FN — CID 91613012

IUPAC4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
SMILESC/N=C1\C=CCC(F)C=C1
InChIInChI=1S/C8H10FN/c1-10-8-4-2-3-7(9)5-6-8/h2,4-7H,3H2,1H3/b10-8+
InChIKeyCTYFCFJQXCMEPS-CSKARUKUSA-N
MW139.17 g/mol
LogP1.91
Rot. Bonds

About 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine

4-fluoro-N-methylcyclohepta-2,6-dien-1-imine (PubChem CID 91613012) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
PubChem CID91613012
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
SMILESC/N=C1\C=CCC(F)C=C1
InChIInChI=1S/C8H10FN/c1-10-8-4-2-3-7(9)5-6-8/h2,4-7H,3H2,1H3/b10-8+
InChIKeyCTYFCFJQXCMEPS-CSKARUKUSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.91
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 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine (CID 91613012) is 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine is C/N=C1\C=CCC(F)C=C1.
What is the InChIKey of 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine?
The InChIKey is CTYFCFJQXCMEPS-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10FN/c1-10-8-4-2-3-7(9)5-6-8/h2,4-7H,3H2,1H3/b10-8+.
What are the key properties of 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine?
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine has a molecular weight of 139.17 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 91613012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).