3,3-difluoropiperidine-1,4-dicarboxylic acid

C7H9F2NO4 — CID 144706599

IUPAC3,3-difluoropiperidine-1,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)O)CC1(F)F
InChIInChI=1S/C7H9F2NO4/c8-7(9)3-10(6(13)14)2-1-4(7)5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)
InChIKeyUCSPJRGLYHOTOQ-UHFFFAOYSA-N
MW209.15 g/mol
LogP0.71
Rot. Bonds1

About 3,3-difluoropiperidine-1,4-dicarboxylic acid

3,3-difluoropiperidine-1,4-dicarboxylic acid (PubChem CID 144706599) has the molecular formula C7H9F2NO4 and a molecular weight of 209.15 g/mol. Its IUPAC name is 3,3-difluoropiperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name3,3-difluoropiperidine-1,4-dicarboxylic acid
PubChem CID144706599
Molecular FormulaC7H9F2NO4
Molecular Weight209.15 g/mol
Exact Mass209.05
IUPAC Name3,3-difluoropiperidine-1,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)O)CC1(F)F
InChIInChI=1S/C7H9F2NO4/c8-7(9)3-10(6(13)14)2-1-4(7)5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)
InChIKeyUCSPJRGLYHOTOQ-UHFFFAOYSA-N
XLogP0.71
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368152
(4S)-3,3-difluoro-4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylic acid
CID 137372039
4-(2-cyanoethyl)-3,3-difluoropiperidine-1-carboxylic acid
CID 131988920
3,3-difluoro-4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid
CID 170430197
(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid
CID 175203164
(3S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 97290598
piperidine-1,4-dicarboxylic acid
CID 18542445
1-(3-chlorophenyl)sulfonyl-3,3-difluoropiperidine-4-carboxylic acid
CID 146132353
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
(1R)-2,2-difluorocycloheptane-1-carboxylic acid
CID 97297799

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidine-1,4-dicarboxylic acid?
The IUPAC name of 3,3-difluoropiperidine-1,4-dicarboxylic acid (CID 144706599) is 3,3-difluoropiperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 3,3-difluoropiperidine-1,4-dicarboxylic acid?
The canonical SMILES for 3,3-difluoropiperidine-1,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)O)CC1(F)F.
What is the InChIKey of 3,3-difluoropiperidine-1,4-dicarboxylic acid?
The InChIKey is UCSPJRGLYHOTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO4/c8-7(9)3-10(6(13)14)2-1-4(7)5(11)12/h4H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 3,3-difluoropiperidine-1,4-dicarboxylic acid?
3,3-difluoropiperidine-1,4-dicarboxylic acid has a molecular weight of 209.15 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 144706599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).