N-(2-fluoroethoxy)-2-methylpropanamide

C6H12FNO2 — CID 176646726

IUPACN-(2-fluoroethoxy)-2-methylpropanamide
SMILESCC(C)C(=O)NOCCF
InChIInChI=1S/C6H12FNO2/c1-5(2)6(9)8-10-4-3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyZZEMAWDQBUXJSA-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.66
Rot. Bonds4

About N-(2-fluoroethoxy)-2-methylpropanamide

N-(2-fluoroethoxy)-2-methylpropanamide (PubChem CID 176646726) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is N-(2-fluoroethoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-fluoroethoxy)-2-methylpropanamide
PubChem CID176646726
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC NameN-(2-fluoroethoxy)-2-methylpropanamide
SMILESCC(C)C(=O)NOCCF
InChIInChI=1S/C6H12FNO2/c1-5(2)6(9)8-10-4-3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyZZEMAWDQBUXJSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethoxy)-2-methylpropanamide?
The IUPAC name of N-(2-fluoroethoxy)-2-methylpropanamide (CID 176646726) is N-(2-fluoroethoxy)-2-methylpropanamide.
What is the SMILES notation for N-(2-fluoroethoxy)-2-methylpropanamide?
The canonical SMILES for N-(2-fluoroethoxy)-2-methylpropanamide is CC(C)C(=O)NOCCF.
What is the InChIKey of N-(2-fluoroethoxy)-2-methylpropanamide?
The InChIKey is ZZEMAWDQBUXJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-5(2)6(9)8-10-4-3-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(2-fluoroethoxy)-2-methylpropanamide?
N-(2-fluoroethoxy)-2-methylpropanamide 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-(2-fluoroethoxy)-2-methylpropanamide is sourced from PubChem (CID 176646726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).