(2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid

C10H16F2N2O2 — CID 118294875

IUPAC(2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)(F)C[C@H]1C1CCNCC1
InChIInChI=1S/C10H16F2N2O2/c11-10(12)5-8(14(6-10)9(15)16)7-1-3-13-4-2-7/h7-8,13H,1-6H2,(H,15,16)/t8-/m0/s1
InChIKeyVSBHBIBWLMRCRO-QMMMGPOBSA-N
MW234.25 g/mol
LogP1.37
Rot. Bonds1

About (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid

(2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid (PubChem CID 118294875) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
PubChem CID118294875
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name(2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)(F)C[C@H]1C1CCNCC1
InChIInChI=1S/C10H16F2N2O2/c11-10(12)5-8(14(6-10)9(15)16)7-1-3-13-4-2-7/h7-8,13H,1-6H2,(H,15,16)/t8-/m0/s1
InChIKeyVSBHBIBWLMRCRO-QMMMGPOBSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid (CID 118294875) is (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid is O=C(O)N1CC(F)(F)C[C@H]1C1CCNCC1.
What is the InChIKey of (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid?
The InChIKey is VSBHBIBWLMRCRO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-10(12)5-8(14(6-10)9(15)16)7-1-3-13-4-2-7/h7-8,13H,1-6H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid?
(2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-2-piperidin-4-ylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118294875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).