5-fluoro-3,3-dimethylpentan-2-imine

C7H14FN — CID 174326047

IUPAC5-fluoro-3,3-dimethylpentan-2-imine
SMILES[H]/N=C(\C)C(C)(C)CCF
InChIInChI=1S/C7H14FN/c1-6(9)7(2,3)4-5-8/h9H,4-5H2,1-3H3/b9-6+
InChIKeyMEOMXGDAALYHNT-RMKNXTFCSA-N
MW131.19 g/mol
LogP2.41
Rot. Bonds3

About 5-fluoro-3,3-dimethylpentan-2-imine

5-fluoro-3,3-dimethylpentan-2-imine (PubChem CID 174326047) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 5-fluoro-3,3-dimethylpentan-2-imine.

Molecular Properties

Compound Name5-fluoro-3,3-dimethylpentan-2-imine
PubChem CID174326047
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name5-fluoro-3,3-dimethylpentan-2-imine
SMILES[H]/N=C(\C)C(C)(C)CCF
InChIInChI=1S/C7H14FN/c1-6(9)7(2,3)4-5-8/h9H,4-5H2,1-3H3/b9-6+
InChIKeyMEOMXGDAALYHNT-RMKNXTFCSA-N
XLogP2.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.41
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 5-fluoro-3,3-dimethylpentan-2-imine?
The IUPAC name of 5-fluoro-3,3-dimethylpentan-2-imine (CID 174326047) is 5-fluoro-3,3-dimethylpentan-2-imine.
What is the SMILES notation for 5-fluoro-3,3-dimethylpentan-2-imine?
The canonical SMILES for 5-fluoro-3,3-dimethylpentan-2-imine is [H]/N=C(\C)C(C)(C)CCF.
What is the InChIKey of 5-fluoro-3,3-dimethylpentan-2-imine?
The InChIKey is MEOMXGDAALYHNT-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(9)7(2,3)4-5-8/h9H,4-5H2,1-3H3/b9-6+.
What are the key properties of 5-fluoro-3,3-dimethylpentan-2-imine?
5-fluoro-3,3-dimethylpentan-2-imine has a molecular weight of 131.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-dimethylpentan-2-imine is sourced from PubChem (CID 174326047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).