2-acetamidoethyl 2-fluoroacetate

C6H10FNO3 — CID 45254008

IUPAC2-acetamidoethyl 2-fluoroacetate
SMILESCC(=O)NCCOC(=O)CF
InChIInChI=1S/C6H10FNO3/c1-5(9)8-2-3-11-6(10)4-7/h2-4H2,1H3,(H,8,9)
InChIKeyMZRIOQNNOCJXOM-UHFFFAOYSA-N
MW163.15 g/mol
LogP-0.36
Rot. Bonds4

About 2-acetamidoethyl 2-fluoroacetate

2-acetamidoethyl 2-fluoroacetate (PubChem CID 45254008) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is 2-acetamidoethyl 2-fluoroacetate.

Molecular Properties

Compound Name2-acetamidoethyl 2-fluoroacetate
PubChem CID45254008
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name2-acetamidoethyl 2-fluoroacetate
SMILESCC(=O)NCCOC(=O)CF
InChIInChI=1S/C6H10FNO3/c1-5(9)8-2-3-11-6(10)4-7/h2-4H2,1H3,(H,8,9)
InChIKeyMZRIOQNNOCJXOM-UHFFFAOYSA-N
XLogP-0.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-acetamidoethyl 2-fluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamidoethyl propanoate
CID 54208768
2-acetamidoethyl hydrogen carbonate
CID 150133482
2-acetamidoethyl iodomethyl carbonate
CID 11748163
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
propyl 2-fluoroacetate
CID 24957
2-acetamidoethyl 2-phenylacetate
CID 139889118
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-acetamidoethyl 1-chloroethyl carbonate
CID 23019510
N-[2-(2-oxopropoxy)ethyl]acetamide
CID 144871697
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
2-ethoxyethyl 2-fluoroacetate
CID 88537895

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl 2-fluoroacetate?
The IUPAC name of 2-acetamidoethyl 2-fluoroacetate (CID 45254008) is 2-acetamidoethyl 2-fluoroacetate.
What is the SMILES notation for 2-acetamidoethyl 2-fluoroacetate?
The canonical SMILES for 2-acetamidoethyl 2-fluoroacetate is CC(=O)NCCOC(=O)CF.
What is the InChIKey of 2-acetamidoethyl 2-fluoroacetate?
The InChIKey is MZRIOQNNOCJXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-5(9)8-2-3-11-6(10)4-7/h2-4H2,1H3,(H,8,9).
What are the key properties of 2-acetamidoethyl 2-fluoroacetate?
2-acetamidoethyl 2-fluoroacetate has a molecular weight of 163.15 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl 2-fluoroacetate is sourced from PubChem (CID 45254008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).