[3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate

C16H22FNO2 — CID 174553304

IUPAC[3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1NCCC1c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-16(2,3)15(19)20-10-14-13(8-9-18-14)11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3
InChIKeyVFSAFBMAMGSXLZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.86
Rot. Bonds3

About [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate

[3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 174553304) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID174553304
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name[3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC1NCCC1c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-16(2,3)15(19)20-10-14-13(8-9-18-14)11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3
InChIKeyVFSAFBMAMGSXLZ-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate 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 [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate (CID 174553304) is [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC1NCCC1c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is VFSAFBMAMGSXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-16(2,3)15(19)20-10-14-13(8-9-18-14)11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3.
What are the key properties of [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
[3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 279.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)pyrrolidin-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174553304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).