3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate

C7H9F2NO3 — CID 139567528

IUPAC3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate
SMILESCN(C)C(=O)C(=O)OCC=C(F)F
InChIInChI=1S/C7H9F2NO3/c1-10(2)6(11)7(12)13-4-3-5(8)9/h3H,4H2,1-2H3
InChIKeyKVEXZCARVZQXBM-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.40
Rot. Bonds2

About 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate

3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate (PubChem CID 139567528) has the molecular formula C7H9F2NO3 and a molecular weight of 193.15 g/mol. Its IUPAC name is 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate.

Molecular Properties

Compound Name3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate
PubChem CID139567528
Molecular FormulaC7H9F2NO3
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate
SMILESCN(C)C(=O)C(=O)OCC=C(F)F
InChIInChI=1S/C7H9F2NO3/c1-10(2)6(11)7(12)13-4-3-5(8)9/h3H,4H2,1-2H3
InChIKeyKVEXZCARVZQXBM-UHFFFAOYSA-N
XLogP0.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-Difluoroprop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567530
3,3-Difluoroprop-2-enyl 2-[di(propan-2-yl)amino]-2-oxoacetate
CID 139567531
3,3-Difluoroprop-2-enyl 2-(diethylamino)-2-oxoacetate
CID 139567534
3,3-Difluoroprop-2-enyl 2-[methyl(prop-2-enyl)amino]-2-oxoacetate
CID 139567535
3,3-Difluoroprop-2-enyl 2-[bis(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567541
2-Fluoroprop-2-enyl 2-(diethylamino)-2-oxoacetate
CID 139567561
2-Fluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567570
2,3,3-Trifluoroprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567573
Prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567585
2-Fluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate
CID 139567588
2-Fluoroprop-2-enyl 2-[bis(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567596
Prop-2-enyl 2-[bis(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 139567603

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate?
The IUPAC name of 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate (CID 139567528) is 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate.
What is the SMILES notation for 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate?
The canonical SMILES for 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate is CN(C)C(=O)C(=O)OCC=C(F)F.
What is the InChIKey of 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate?
The InChIKey is KVEXZCARVZQXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO3/c1-10(2)6(11)7(12)13-4-3-5(8)9/h3H,4H2,1-2H3.
What are the key properties of 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate?
3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate has a molecular weight of 193.15 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-2-enyl 2-(dimethylamino)-2-oxoacetate is sourced from PubChem (CID 139567528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).