(Z)-1-fluoro-N-methoxyazepan-4-imine

C7H13FN2O — CID 166778007

IUPAC(Z)-1-fluoro-N-methoxyazepan-4-imine
SMILESCO/N=C1/CCCN(F)CC1
InChIInChI=1S/C7H13FN2O/c1-11-9-7-3-2-5-10(8)6-4-7/h2-6H2,1H3/b9-7-
InChIKeyCEBSLNRVNRMYNW-CLFYSBASSA-N
MW160.19 g/mol
LogP1.36
Rot. Bonds1

About (Z)-1-fluoro-N-methoxyazepan-4-imine

(Z)-1-fluoro-N-methoxyazepan-4-imine (PubChem CID 166778007) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (Z)-1-fluoro-N-methoxyazepan-4-imine.

Molecular Properties

Compound Name(Z)-1-fluoro-N-methoxyazepan-4-imine
PubChem CID166778007
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(Z)-1-fluoro-N-methoxyazepan-4-imine
SMILESCO/N=C1/CCCN(F)CC1
InChIInChI=1S/C7H13FN2O/c1-11-9-7-3-2-5-10(8)6-4-7/h2-6H2,1H3/b9-7-
InChIKeyCEBSLNRVNRMYNW-CLFYSBASSA-N
XLogP1.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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 (Z)-1-fluoro-N-methoxyazepan-4-imine?
The IUPAC name of (Z)-1-fluoro-N-methoxyazepan-4-imine (CID 166778007) is (Z)-1-fluoro-N-methoxyazepan-4-imine.
What is the SMILES notation for (Z)-1-fluoro-N-methoxyazepan-4-imine?
The canonical SMILES for (Z)-1-fluoro-N-methoxyazepan-4-imine is CO/N=C1/CCCN(F)CC1.
What is the InChIKey of (Z)-1-fluoro-N-methoxyazepan-4-imine?
The InChIKey is CEBSLNRVNRMYNW-CLFYSBASSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-11-9-7-3-2-5-10(8)6-4-7/h2-6H2,1H3/b9-7-.
What are the key properties of (Z)-1-fluoro-N-methoxyazepan-4-imine?
(Z)-1-fluoro-N-methoxyazepan-4-imine has a molecular weight of 160.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-N-methoxyazepan-4-imine is sourced from PubChem (CID 166778007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).