4-fluoro-N-methylcyclohex-2-en-1-imine

C7H10FN — CID 123864135

IUPAC4-fluoro-N-methylcyclohex-2-en-1-imine
SMILESC/N=C1/C=CC(F)CC1
InChIInChI=1S/C7H10FN/c1-9-7-4-2-6(8)3-5-7/h2,4,6H,3,5H2,1H3/b9-7-
InChIKeyABTRGWDVEMYCOF-CLFYSBASSA-N
MW127.16 g/mol
LogP1.75
Rot. Bonds

About 4-fluoro-N-methylcyclohex-2-en-1-imine

4-fluoro-N-methylcyclohex-2-en-1-imine (PubChem CID 123864135) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 4-fluoro-N-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-fluoro-N-methylcyclohex-2-en-1-imine
PubChem CID123864135
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name4-fluoro-N-methylcyclohex-2-en-1-imine
SMILESC/N=C1/C=CC(F)CC1
InChIInChI=1S/C7H10FN/c1-9-7-4-2-6(8)3-5-7/h2,4,6H,3,5H2,1H3/b9-7-
InChIKeyABTRGWDVEMYCOF-CLFYSBASSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.75
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-methylcyclohex-2-en-1-imine?
The IUPAC name of 4-fluoro-N-methylcyclohex-2-en-1-imine (CID 123864135) is 4-fluoro-N-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-fluoro-N-methylcyclohex-2-en-1-imine?
The canonical SMILES for 4-fluoro-N-methylcyclohex-2-en-1-imine is C/N=C1/C=CC(F)CC1.
What is the InChIKey of 4-fluoro-N-methylcyclohex-2-en-1-imine?
The InChIKey is ABTRGWDVEMYCOF-CLFYSBASSA-N. The full InChI is InChI=1S/C7H10FN/c1-9-7-4-2-6(8)3-5-7/h2,4,6H,3,5H2,1H3/b9-7-.
What are the key properties of 4-fluoro-N-methylcyclohex-2-en-1-imine?
4-fluoro-N-methylcyclohex-2-en-1-imine has a molecular weight of 127.16 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123864135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).