5-fluoro-3-methylpentan-2-imine

C6H12FN — CID 175253618

IUPAC5-fluoro-3-methylpentan-2-imine
SMILES[H]/N=C(\C)C(C)CCF
InChIInChI=1S/C6H12FN/c1-5(3-4-7)6(2)8/h5,8H,3-4H2,1-2H3/b8-6+
InChIKeySKMUKIPAASCGNP-SOFGYWHQSA-N
MW117.17 g/mol
LogP2.02
Rot. Bonds3

About 5-fluoro-3-methylpentan-2-imine

5-fluoro-3-methylpentan-2-imine (PubChem CID 175253618) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 5-fluoro-3-methylpentan-2-imine.

Molecular Properties

Compound Name5-fluoro-3-methylpentan-2-imine
PubChem CID175253618
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name5-fluoro-3-methylpentan-2-imine
SMILES[H]/N=C(\C)C(C)CCF
InChIInChI=1S/C6H12FN/c1-5(3-4-7)6(2)8/h5,8H,3-4H2,1-2H3/b8-6+
InChIKeySKMUKIPAASCGNP-SOFGYWHQSA-N
XLogP2.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 52.02
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-methylpentan-2-imine?
The IUPAC name of 5-fluoro-3-methylpentan-2-imine (CID 175253618) is 5-fluoro-3-methylpentan-2-imine.
What is the SMILES notation for 5-fluoro-3-methylpentan-2-imine?
The canonical SMILES for 5-fluoro-3-methylpentan-2-imine is [H]/N=C(\C)C(C)CCF.
What is the InChIKey of 5-fluoro-3-methylpentan-2-imine?
The InChIKey is SKMUKIPAASCGNP-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12FN/c1-5(3-4-7)6(2)8/h5,8H,3-4H2,1-2H3/b8-6+.
What are the key properties of 5-fluoro-3-methylpentan-2-imine?
5-fluoro-3-methylpentan-2-imine has a molecular weight of 117.17 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylpentan-2-imine is sourced from PubChem (CID 175253618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).