3-methylpentanimidoyl fluoride

C6H12FN — CID 130321726

IUPAC3-methylpentanimidoyl fluoride
SMILES[H]/N=C(\F)CC(C)CC
InChIInChI=1S/C6H12FN/c1-3-5(2)4-6(7)8/h5,8H,3-4H2,1-2H3/b8-6-
InChIKeyBVCAKRNNIJPOMO-VURMDHGXSA-N
MW117.17 g/mol
LogP2.37
Rot. Bonds3

About 3-methylpentanimidoyl fluoride

3-methylpentanimidoyl fluoride (PubChem CID 130321726) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-methylpentanimidoyl fluoride.

Molecular Properties

Compound Name3-methylpentanimidoyl fluoride
PubChem CID130321726
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name3-methylpentanimidoyl fluoride
SMILES[H]/N=C(\F)CC(C)CC
InChIInChI=1S/C6H12FN/c1-3-5(2)4-6(7)8/h5,8H,3-4H2,1-2H3/b8-6-
InChIKeyBVCAKRNNIJPOMO-VURMDHGXSA-N
XLogP2.37
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 ≤ 52.37
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 3-methylpentanimidoyl fluoride?
The IUPAC name of 3-methylpentanimidoyl fluoride (CID 130321726) is 3-methylpentanimidoyl fluoride.
What is the SMILES notation for 3-methylpentanimidoyl fluoride?
The canonical SMILES for 3-methylpentanimidoyl fluoride is [H]/N=C(\F)CC(C)CC.
What is the InChIKey of 3-methylpentanimidoyl fluoride?
The InChIKey is BVCAKRNNIJPOMO-VURMDHGXSA-N. The full InChI is InChI=1S/C6H12FN/c1-3-5(2)4-6(7)8/h5,8H,3-4H2,1-2H3/b8-6-.
What are the key properties of 3-methylpentanimidoyl fluoride?
3-methylpentanimidoyl fluoride has a molecular weight of 117.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentanimidoyl fluoride is sourced from PubChem (CID 130321726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).