N-fluoro-4-methoxy-2-methylbutanamide

C6H12FNO2 — CID 59324300

IUPACN-fluoro-4-methoxy-2-methylbutanamide
SMILESCOCCC(C)C(=O)NF
InChIInChI=1S/C6H12FNO2/c1-5(3-4-10-2)6(9)8-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyCFKSLDMKWZDSKR-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.66
Rot. Bonds4

About N-fluoro-4-methoxy-2-methylbutanamide

N-fluoro-4-methoxy-2-methylbutanamide (PubChem CID 59324300) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is N-fluoro-4-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-fluoro-4-methoxy-2-methylbutanamide
PubChem CID59324300
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC NameN-fluoro-4-methoxy-2-methylbutanamide
SMILESCOCCC(C)C(=O)NF
InChIInChI=1S/C6H12FNO2/c1-5(3-4-10-2)6(9)8-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyCFKSLDMKWZDSKR-UHFFFAOYSA-N
XLogP0.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybutanamide
CID 22414177
4-ethoxy-N-fluoro-2-methylbutanamide
CID 59319960
4-ethoxy-N-fluorobutanamide
CID 59335519
4-Methoxy-2-methylbutanamide
CID 17911000
4-Methoxy-3-methylbutanamide
CID 18430298
4-(2-Methylpropoxy)butanamide
CID 54529042
2-Ethyl-4-methoxybutanamide
CID 55290162
2-(Oxetan-3-yl)acetamide
CID 67125854
(4-Amino-3-methyl-4-oxobutyl) formate
CID 87468905
4-ethoxy-N-fluorobutanamide;molecular fluorine
CID 90788571
N-fluoro-4-methoxy-2-methylbutanamide;molecular fluorine
CID 90794452
3-Methyl-4-(3-methylbutoxy)butanamide
CID 134242351

Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-methoxy-2-methylbutanamide?
The IUPAC name of N-fluoro-4-methoxy-2-methylbutanamide (CID 59324300) is N-fluoro-4-methoxy-2-methylbutanamide.
What is the SMILES notation for N-fluoro-4-methoxy-2-methylbutanamide?
The canonical SMILES for N-fluoro-4-methoxy-2-methylbutanamide is COCCC(C)C(=O)NF.
What is the InChIKey of N-fluoro-4-methoxy-2-methylbutanamide?
The InChIKey is CFKSLDMKWZDSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-5(3-4-10-2)6(9)8-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-fluoro-4-methoxy-2-methylbutanamide?
N-fluoro-4-methoxy-2-methylbutanamide has a molecular weight of 149.16 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-methoxy-2-methylbutanamide is sourced from PubChem (CID 59324300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).