(4-fluorocyclohexa-1,3-dien-1-yl)methanimine

C7H8FN — CID 123586427

IUPAC(4-fluorocyclohexa-1,3-dien-1-yl)methanimine
SMILES[H]/N=C/C1=CC=C(F)CC1
InChIInChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1,3,5,9H,2,4H2/b9-5+
InChIKeySTAVLCIVWVRAHV-WEVVVXLNSA-N
MW125.15 g/mol
LogP2.21
Rot. Bonds1

About (4-fluorocyclohexa-1,3-dien-1-yl)methanimine

(4-fluorocyclohexa-1,3-dien-1-yl)methanimine (PubChem CID 123586427) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (4-fluorocyclohexa-1,3-dien-1-yl)methanimine.

Molecular Properties

Compound Name(4-fluorocyclohexa-1,3-dien-1-yl)methanimine
PubChem CID123586427
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(4-fluorocyclohexa-1,3-dien-1-yl)methanimine
SMILES[H]/N=C/C1=CC=C(F)CC1
InChIInChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1,3,5,9H,2,4H2/b9-5+
InChIKeySTAVLCIVWVRAHV-WEVVVXLNSA-N
XLogP2.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 52.21
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-fluorocyclohexa-1,3-dien-1-yl)methanimine?
The IUPAC name of (4-fluorocyclohexa-1,3-dien-1-yl)methanimine (CID 123586427) is (4-fluorocyclohexa-1,3-dien-1-yl)methanimine.
What is the SMILES notation for (4-fluorocyclohexa-1,3-dien-1-yl)methanimine?
The canonical SMILES for (4-fluorocyclohexa-1,3-dien-1-yl)methanimine is [H]/N=C/C1=CC=C(F)CC1.
What is the InChIKey of (4-fluorocyclohexa-1,3-dien-1-yl)methanimine?
The InChIKey is STAVLCIVWVRAHV-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1,3,5,9H,2,4H2/b9-5+.
What are the key properties of (4-fluorocyclohexa-1,3-dien-1-yl)methanimine?
(4-fluorocyclohexa-1,3-dien-1-yl)methanimine has a molecular weight of 125.15 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexa-1,3-dien-1-yl)methanimine is sourced from PubChem (CID 123586427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).