3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid

C10H15F2NO2 — CID 115031189

IUPAC3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCNC2)CC(F)(F)C1
InChIInChI=1S/C10H15F2NO2/c11-10(12)5-9(6-10,8(14)15)7-2-1-3-13-4-7/h7,13H,1-6H2,(H,14,15)
InChIKeyFLRZOCCTMJRKOQ-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.49
Rot. Bonds2

About 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid

3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid (PubChem CID 115031189) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid
PubChem CID115031189
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCNC2)CC(F)(F)C1
InChIInChI=1S/C10H15F2NO2/c11-10(12)5-9(6-10,8(14)15)7-2-1-3-13-4-7/h7,13H,1-6H2,(H,14,15)
InChIKeyFLRZOCCTMJRKOQ-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid (CID 115031189) is 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid is O=C(O)C1(C2CCCNC2)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid?
The InChIKey is FLRZOCCTMJRKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)5-9(6-10,8(14)15)7-2-1-3-13-4-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid?
3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid has a molecular weight of 219.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 115031189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).