4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide

C9H14F2N2O — CID 123608838

IUPAC4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide
SMILESC=C(F)CCNC(=O)C1CC(F)CN1
InChIInChI=1S/C9H14F2N2O/c1-6(10)2-3-12-9(14)8-4-7(11)5-13-8/h7-8,13H,1-5H2,(H,12,14)
InChIKeyDAZPCNHAKVLPHE-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.68
Rot. Bonds4

About 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide

4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide (PubChem CID 123608838) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide
PubChem CID123608838
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide
SMILESC=C(F)CCNC(=O)C1CC(F)CN1
InChIInChI=1S/C9H14F2N2O/c1-6(10)2-3-12-9(14)8-4-7(11)5-13-8/h7-8,13H,1-5H2,(H,12,14)
InChIKeyDAZPCNHAKVLPHE-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide (CID 123608838) is 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide is C=C(F)CCNC(=O)C1CC(F)CN1.
What is the InChIKey of 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide?
The InChIKey is DAZPCNHAKVLPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-6(10)2-3-12-9(14)8-4-7(11)5-13-8/h7-8,13H,1-5H2,(H,12,14).
What are the key properties of 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide?
4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide has a molecular weight of 204.22 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-fluorobut-3-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123608838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).