3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid

C8H13F2NO2 — CID 165466715

IUPAC3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid
SMILESC=CCN(CC)CC(F)(F)C(=O)O
InChIInChI=1S/C8H13F2NO2/c1-3-5-11(4-2)6-8(9,10)7(12)13/h3H,1,4-6H2,2H3,(H,12,13)
InChIKeyGFIFZQFUKVCSJX-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.21
Rot. Bonds6

About 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid

3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid (PubChem CID 165466715) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid
PubChem CID165466715
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid
SMILESC=CCN(CC)CC(F)(F)C(=O)O
InChIInChI=1S/C8H13F2NO2/c1-3-5-11(4-2)6-8(9,10)7(12)13/h3H,1,4-6H2,2H3,(H,12,13)
InChIKeyGFIFZQFUKVCSJX-UHFFFAOYSA-N
XLogP1.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid 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-methyl-N-prop-2-enylprop-2-en-1-amine;2,2,2-trifluoroacetic acid
CID 85775487
2-[[Bis(prop-2-enyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80996437
3-[2,2,2-trifluoro-N-(prop-2-en-1-yl)acetamido]propanoic acid
CID 82325834
2-Methyl-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 82325889
3-(2,5-Dihydro-1H-pyrrol-1-yl)-2,2-difluoropropanoic acid
CID 130600745
Ethyl 2,2-difluoro-3-[methyl(prop-2-en-1-yl)amino]propanoate
CID 165461961
2,2-Difluoro-3-[(prop-2-en-1-yl)(propan-2-yl)amino]propanoic acid
CID 165462084
3-[Ethyl(2-methylprop-2-en-1-yl)amino]-2,2-difluoropropanoic acid
CID 165462205
2,2-Difluoro-3-[(prop-2-en-1-yl)(prop-2-yn-1-yl)amino]propanoic acid
CID 165462206
2,2-Difluoro-3-[(2-hydroxyethyl)(prop-2-en-1-yl)amino]propanoic acid
CID 165462207
3-[(But-3-en-1-yl)(methyl)amino]-2,2-difluoropropanoic acid
CID 165462208
2,2-Difluoro-3-[methyl(pent-4-en-1-yl)amino]propanoic acid
CID 165466455

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid?
The IUPAC name of 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid (CID 165466715) is 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid?
The canonical SMILES for 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid is C=CCN(CC)CC(F)(F)C(=O)O.
What is the InChIKey of 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid?
The InChIKey is GFIFZQFUKVCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-3-5-11(4-2)6-8(9,10)7(12)13/h3H,1,4-6H2,2H3,(H,12,13).
What are the key properties of 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid?
3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid has a molecular weight of 193.19 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(prop-2-enyl)amino]-2,2-difluoropropanoic acid is sourced from PubChem (CID 165466715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).