(E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine

C9H14FNO — CID 134863039

IUPAC(E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine
SMILESCO/N=C(\C)C1=C(F)CCCC1
InChIInChI=1S/C9H14FNO/c1-7(11-12-2)8-5-3-4-6-9(8)10/h3-6H2,1-2H3/b11-7+
InChIKeyGSUVPFCWTZDQQY-YRNVUSSQSA-N
MW171.22 g/mol
LogP2.81
Rot. Bonds2

About (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine

(E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine (PubChem CID 134863039) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine
PubChem CID134863039
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name(E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine
SMILESCO/N=C(\C)C1=C(F)CCCC1
InChIInChI=1S/C9H14FNO/c1-7(11-12-2)8-5-3-4-6-9(8)10/h3-6H2,1-2H3/b11-7+
InChIKeyGSUVPFCWTZDQQY-YRNVUSSQSA-N
XLogP2.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine (CID 134863039) is (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine is CO/N=C(\C)C1=C(F)CCCC1.
What is the InChIKey of (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine?
The InChIKey is GSUVPFCWTZDQQY-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H14FNO/c1-7(11-12-2)8-5-3-4-6-9(8)10/h3-6H2,1-2H3/b11-7+.
What are the key properties of (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine?
(E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine has a molecular weight of 171.22 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-fluorocyclohexen-1-yl)-N-methoxyethanimine is sourced from PubChem (CID 134863039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).