(4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid

C8H10F2N2O3 — CID 146504224

IUPAC(4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid
SMILESC=CC(=O)N1CC(NC(=O)O)C(F)(F)C1
InChIInChI=1S/C8H10F2N2O3/c1-2-6(13)12-3-5(11-7(14)15)8(9,10)4-12/h2,5,11H,1,3-4H2,(H,14,15)
InChIKeyULRLKHOBKHNTLE-UHFFFAOYSA-N
MW220.17 g/mol
LogP0.29
Rot. Bonds2

About (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid

(4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid (PubChem CID 146504224) has the molecular formula C8H10F2N2O3 and a molecular weight of 220.17 g/mol. Its IUPAC name is (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid
PubChem CID146504224
Molecular FormulaC8H10F2N2O3
Molecular Weight220.17 g/mol
Exact Mass220.07
IUPAC Name(4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid
SMILESC=CC(=O)N1CC(NC(=O)O)C(F)(F)C1
InChIInChI=1S/C8H10F2N2O3/c1-2-6(13)12-3-5(11-7(14)15)8(9,10)4-12/h2,5,11H,1,3-4H2,(H,14,15)
InChIKeyULRLKHOBKHNTLE-UHFFFAOYSA-N
XLogP0.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid?
The IUPAC name of (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid (CID 146504224) is (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid.
What is the SMILES notation for (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid?
The canonical SMILES for (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid is C=CC(=O)N1CC(NC(=O)O)C(F)(F)C1.
What is the InChIKey of (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid?
The InChIKey is ULRLKHOBKHNTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3/c1-2-6(13)12-3-5(11-7(14)15)8(9,10)4-12/h2,5,11H,1,3-4H2,(H,14,15).
What are the key properties of (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid?
(4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid has a molecular weight of 220.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 146504224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).