(3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C9H11F5N2O — CID 70334851

IUPAC(3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESC/C=C1/C(C(=O)NCC(F)(F)F)NCC1(F)F
InChIInChI=1S/C9H11F5N2O/c1-2-5-6(15-3-8(5,10)11)7(17)16-4-9(12,13)14/h2,6,15H,3-4H2,1H3,(H,16,17)/b5-2-
InChIKeyZTKWMTNSIPBRQZ-DJWKRKHSSA-N
MW258.19 g/mol
LogP1.22
Rot. Bonds2

About (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 70334851) has the molecular formula C9H11F5N2O and a molecular weight of 258.19 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID70334851
Molecular FormulaC9H11F5N2O
Molecular Weight258.19 g/mol
Exact Mass258.08
IUPAC Name(3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESC/C=C1/C(C(=O)NCC(F)(F)F)NCC1(F)F
InChIInChI=1S/C9H11F5N2O/c1-2-5-6(15-3-8(5,10)11)7(17)16-4-9(12,13)14/h2,6,15H,3-4H2,1H3,(H,16,17)/b5-2-
InChIKeyZTKWMTNSIPBRQZ-DJWKRKHSSA-N
XLogP1.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 70334851) is (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is C/C=C1/C(C(=O)NCC(F)(F)F)NCC1(F)F.
What is the InChIKey of (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is ZTKWMTNSIPBRQZ-DJWKRKHSSA-N. The full InChI is InChI=1S/C9H11F5N2O/c1-2-5-6(15-3-8(5,10)11)7(17)16-4-9(12,13)14/h2,6,15H,3-4H2,1H3,(H,16,17)/b5-2-.
What are the key properties of (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 258.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4,4-difluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70334851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).