4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid

C8H13F2NO3 — CID 129284418

IUPAC4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(O)C(F)F)CC1
InChIInChI=1S/C8H13F2NO3/c9-7(10)6(12)5-1-3-11(4-2-5)8(13)14/h5-7,12H,1-4H2,(H,13,14)
InChIKeyKHQXDHTTZZEGDZ-UHFFFAOYSA-N
MW209.19 g/mol
LogP1.00
Rot. Bonds2

About 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid

4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid (PubChem CID 129284418) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid
PubChem CID129284418
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(O)C(F)F)CC1
InChIInChI=1S/C8H13F2NO3/c9-7(10)6(12)5-1-3-11(4-2-5)8(13)14/h5-7,12H,1-4H2,(H,13,14)
InChIKeyKHQXDHTTZZEGDZ-UHFFFAOYSA-N
XLogP1.00
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid (CID 129284418) is 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(C(O)C(F)F)CC1.
What is the InChIKey of 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid?
The InChIKey is KHQXDHTTZZEGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c9-7(10)6(12)5-1-3-11(4-2-5)8(13)14/h5-7,12H,1-4H2,(H,13,14).
What are the key properties of 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid?
4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid has a molecular weight of 209.19 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-1-hydroxyethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 129284418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).