2-fluoro-N-methoxy-N,3-dimethylbutanamide

C7H14FNO2 — CID 131206794

IUPAC2-fluoro-N-methoxy-N,3-dimethylbutanamide
SMILESCON(C)C(=O)C(F)C(C)C
InChIInChI=1S/C7H14FNO2/c1-5(2)6(8)7(10)9(3)11-4/h5-6H,1-4H3
InChIKeySVMFSXJVRDFDEJ-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.00
Rot. Bonds3

About 2-fluoro-N-methoxy-N,3-dimethylbutanamide

2-fluoro-N-methoxy-N,3-dimethylbutanamide (PubChem CID 131206794) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-fluoro-N-methoxy-N,3-dimethylbutanamide
PubChem CID131206794
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name2-fluoro-N-methoxy-N,3-dimethylbutanamide
SMILESCON(C)C(=O)C(F)C(C)C
InChIInChI=1S/C7H14FNO2/c1-5(2)6(8)7(10)9(3)11-4/h5-6H,1-4H3
InChIKeySVMFSXJVRDFDEJ-UHFFFAOYSA-N
XLogP1.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.00
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,3-dimethylbutanamide?
The IUPAC name of 2-fluoro-N-methoxy-N,3-dimethylbutanamide (CID 131206794) is 2-fluoro-N-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for 2-fluoro-N-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for 2-fluoro-N-methoxy-N,3-dimethylbutanamide is CON(C)C(=O)C(F)C(C)C.
What is the InChIKey of 2-fluoro-N-methoxy-N,3-dimethylbutanamide?
The InChIKey is SVMFSXJVRDFDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-5(2)6(8)7(10)9(3)11-4/h5-6H,1-4H3.
What are the key properties of 2-fluoro-N-methoxy-N,3-dimethylbutanamide?
2-fluoro-N-methoxy-N,3-dimethylbutanamide has a molecular weight of 163.19 g/mol, XLogP of 1.00, 3 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,3-dimethylbutanamide is sourced from PubChem (CID 131206794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).