3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine

C7H8FNO — CID 130349810

IUPAC3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C=C(F)C(OC)=CC1
InChIInChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h3-4,9H,2H2,1H3/b9-5+
InChIKeyVGAKTRDJDXWHNO-WEVVVXLNSA-N
MW141.14 g/mol
LogP1.79
Rot. Bonds1

About 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine

3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine (PubChem CID 130349810) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine
PubChem CID130349810
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C=C(F)C(OC)=CC1
InChIInChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h3-4,9H,2H2,1H3/b9-5+
InChIKeyVGAKTRDJDXWHNO-WEVVVXLNSA-N
XLogP1.79
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine?
The IUPAC name of 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine (CID 130349810) is 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine is [H]/N=C1/C=C(F)C(OC)=CC1.
What is the InChIKey of 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine?
The InChIKey is VGAKTRDJDXWHNO-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h3-4,9H,2H2,1H3/b9-5+.
What are the key properties of 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine?
3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine has a molecular weight of 141.14 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 130349810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).