1-fluoroheptan-2-imine

C7H14FN — CID 175284219

IUPAC1-fluoroheptan-2-imine
SMILES[H]/N=C(\CF)CCCCC
InChIInChI=1S/C7H14FN/c1-2-3-4-5-7(9)6-8/h9H,2-6H2,1H3/b9-7-
InChIKeyMZRQQUMRPFRYGV-CLFYSBASSA-N
MW131.19 g/mol
LogP2.56
Rot. Bonds5

About 1-fluoroheptan-2-imine

1-fluoroheptan-2-imine (PubChem CID 175284219) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 1-fluoroheptan-2-imine.

Molecular Properties

Compound Name1-fluoroheptan-2-imine
PubChem CID175284219
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name1-fluoroheptan-2-imine
SMILES[H]/N=C(\CF)CCCCC
InChIInChI=1S/C7H14FN/c1-2-3-4-5-7(9)6-8/h9H,2-6H2,1H3/b9-7-
InChIKeyMZRQQUMRPFRYGV-CLFYSBASSA-N
XLogP2.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroheptan-2-imine?
The IUPAC name of 1-fluoroheptan-2-imine (CID 175284219) is 1-fluoroheptan-2-imine.
What is the SMILES notation for 1-fluoroheptan-2-imine?
The canonical SMILES for 1-fluoroheptan-2-imine is [H]/N=C(\CF)CCCCC.
What is the InChIKey of 1-fluoroheptan-2-imine?
The InChIKey is MZRQQUMRPFRYGV-CLFYSBASSA-N. The full InChI is InChI=1S/C7H14FN/c1-2-3-4-5-7(9)6-8/h9H,2-6H2,1H3/b9-7-.
What are the key properties of 1-fluoroheptan-2-imine?
1-fluoroheptan-2-imine has a molecular weight of 131.19 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroheptan-2-imine is sourced from PubChem (CID 175284219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).