N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide

C8H13F2NO2 — CID 107168162

IUPACN-(2-but-3-enoxyethyl)-2,2-difluoroacetamide
SMILESC=CCCOCCNC(=O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-3-5-13-6-4-11-8(12)7(9)10/h2,7H,1,3-6H2,(H,11,12)
InChIKeyZNTBXXDEPUOYRX-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.96
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide

N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide (PubChem CID 107168162) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2-difluoroacetamide
PubChem CID107168162
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC NameN-(2-but-3-enoxyethyl)-2,2-difluoroacetamide
SMILESC=CCCOCCNC(=O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-3-5-13-6-4-11-8(12)7(9)10/h2,7H,1,3-6H2,(H,11,12)
InChIKeyZNTBXXDEPUOYRX-UHFFFAOYSA-N
XLogP0.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide 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

N-[2-(Allyloxy)ethyl]-2,2,2-trifluoroacetamide
CID 10910465
2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide
CID 58057340
CH2=CH(CO)Nhch2CH2ocf2cfhcf3
CID 131724606
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroethanamine
CID 62599212
N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-enamide
CID 63827877
N-but-3-enyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208991
1-(2-But-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103853132
2,2,2-trifluoroethyl N-(2-but-3-enoxyethyl)carbamate
CID 103853139
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroacetamide
CID 103855608
N-(2-but-3-enoxyethyl)-2,2,3,3-tetrafluoropropanamide
CID 103855683
N-[2-(2,2-difluoroethoxy)ethyl]prop-2-enamide
CID 105908274
2-but-3-enoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106401382

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide (CID 107168162) is N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide is C=CCCOCCNC(=O)C(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide?
The InChIKey is ZNTBXXDEPUOYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-3-5-13-6-4-11-8(12)7(9)10/h2,7H,1,3-6H2,(H,11,12).
What are the key properties of N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide?
N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide has a molecular weight of 193.19 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,2-difluoroacetamide is sourced from PubChem (CID 107168162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).