N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide

C7H14FNO3 — CID 58123085

IUPACN-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide
SMILESCOCC(=O)N(CF)C(C)OC
InChIInChI=1S/C7H14FNO3/c1-6(12-3)9(5-8)7(10)4-11-2/h6H,4-5H2,1-3H3
InChIKeyIXLCSHKEVBBRQL-UHFFFAOYSA-N
MW179.19 g/mol
LogP0.38
Rot. Bonds5

About N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide

N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide (PubChem CID 58123085) has the molecular formula C7H14FNO3 and a molecular weight of 179.19 g/mol. Its IUPAC name is N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide
PubChem CID58123085
Molecular FormulaC7H14FNO3
Molecular Weight179.19 g/mol
Exact Mass179.10
IUPAC NameN-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide
SMILESCOCC(=O)N(CF)C(C)OC
InChIInChI=1S/C7H14FNO3/c1-6(12-3)9(5-8)7(10)4-11-2/h6H,4-5H2,1-3H3
InChIKeyIXLCSHKEVBBRQL-UHFFFAOYSA-N
XLogP0.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide?
The IUPAC name of N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide (CID 58123085) is N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide.
What is the SMILES notation for N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide?
The canonical SMILES for N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide is COCC(=O)N(CF)C(C)OC.
What is the InChIKey of N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide?
The InChIKey is IXLCSHKEVBBRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3/c1-6(12-3)9(5-8)7(10)4-11-2/h6H,4-5H2,1-3H3.
What are the key properties of N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide?
N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide has a molecular weight of 179.19 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-2-methoxy-N-(1-methoxyethyl)acetamide is sourced from PubChem (CID 58123085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).