2-fluoro-N-methoxy-N-methylpentanamide

C7H14FNO2 — CID 141176012

IUPAC2-fluoro-N-methoxy-N-methylpentanamide
SMILESCCCC(F)C(=O)N(C)OC
InChIInChI=1S/C7H14FNO2/c1-4-5-6(8)7(10)9(2)11-3/h6H,4-5H2,1-3H3
InChIKeyLJIGESACVMFVTB-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.14
Rot. Bonds4

About 2-fluoro-N-methoxy-N-methylpentanamide

2-fluoro-N-methoxy-N-methylpentanamide (PubChem CID 141176012) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-N-methylpentanamide.

Molecular Properties

Compound Name2-fluoro-N-methoxy-N-methylpentanamide
PubChem CID141176012
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name2-fluoro-N-methoxy-N-methylpentanamide
SMILESCCCC(F)C(=O)N(C)OC
InChIInChI=1S/C7H14FNO2/c1-4-5-6(8)7(10)9(2)11-3/h6H,4-5H2,1-3H3
InChIKeyLJIGESACVMFVTB-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methoxy-N-methylpentanamide?
The IUPAC name of 2-fluoro-N-methoxy-N-methylpentanamide (CID 141176012) is 2-fluoro-N-methoxy-N-methylpentanamide.
What is the SMILES notation for 2-fluoro-N-methoxy-N-methylpentanamide?
The canonical SMILES for 2-fluoro-N-methoxy-N-methylpentanamide is CCCC(F)C(=O)N(C)OC.
What is the InChIKey of 2-fluoro-N-methoxy-N-methylpentanamide?
The InChIKey is LJIGESACVMFVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-4-5-6(8)7(10)9(2)11-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-N-methoxy-N-methylpentanamide?
2-fluoro-N-methoxy-N-methylpentanamide has a molecular weight of 163.19 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxy-N-methylpentanamide is sourced from PubChem (CID 141176012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).