1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid

C11H17F2NO2 — CID 116991381

IUPAC1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCCC(F)(F)C2)CCC1
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-2-6-14(8-11)7-10(9(15)16)3-1-4-10/h1-8H2,(H,15,16)
InChIKeyWQRSEUVHHRYWJY-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.97
Rot. Bonds3

About 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid

1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116991381) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID116991381
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCCC(F)(F)C2)CCC1
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-2-6-14(8-11)7-10(9(15)16)3-1-4-10/h1-8H2,(H,15,16)
InChIKeyWQRSEUVHHRYWJY-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid (CID 116991381) is 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CN2CCCC(F)(F)C2)CCC1.
What is the InChIKey of 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is WQRSEUVHHRYWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13)5-2-6-14(8-11)7-10(9(15)16)3-1-4-10/h1-8H2,(H,15,16).
What are the key properties of 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid?
1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 233.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116991381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).