4-fluorocyclohept-2-en-1-imine

C7H10FN — CID 91309761

IUPAC4-fluorocyclohept-2-en-1-imine
SMILES[H]/N=C1/C=CC(F)CCC1
InChIInChI=1S/C7H10FN/c8-6-2-1-3-7(9)5-4-6/h4-6,9H,1-3H2/b9-7+
InChIKeyHPVSNOBCJGNVLB-VQHVLOKHSA-N
MW127.16 g/mol
LogP2.08
Rot. Bonds

About 4-fluorocyclohept-2-en-1-imine

4-fluorocyclohept-2-en-1-imine (PubChem CID 91309761) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 4-fluorocyclohept-2-en-1-imine.

Molecular Properties

Compound Name4-fluorocyclohept-2-en-1-imine
PubChem CID91309761
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name4-fluorocyclohept-2-en-1-imine
SMILES[H]/N=C1/C=CC(F)CCC1
InChIInChI=1S/C7H10FN/c8-6-2-1-3-7(9)5-4-6/h4-6,9H,1-3H2/b9-7+
InChIKeyHPVSNOBCJGNVLB-VQHVLOKHSA-N
XLogP2.08
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.08
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 4-fluorocyclohept-2-en-1-imine?
The IUPAC name of 4-fluorocyclohept-2-en-1-imine (CID 91309761) is 4-fluorocyclohept-2-en-1-imine.
What is the SMILES notation for 4-fluorocyclohept-2-en-1-imine?
The canonical SMILES for 4-fluorocyclohept-2-en-1-imine is [H]/N=C1/C=CC(F)CCC1.
What is the InChIKey of 4-fluorocyclohept-2-en-1-imine?
The InChIKey is HPVSNOBCJGNVLB-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10FN/c8-6-2-1-3-7(9)5-4-6/h4-6,9H,1-3H2/b9-7+.
What are the key properties of 4-fluorocyclohept-2-en-1-imine?
4-fluorocyclohept-2-en-1-imine has a molecular weight of 127.16 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorocyclohept-2-en-1-imine is sourced from PubChem (CID 91309761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).