1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

C11H15F2NO3 — CID 116991160

IUPAC1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCC(F)(F)CC2)CCC1
InChIInChI=1S/C11H15F2NO3/c12-11(13)4-6-14(7-5-11)8(15)10(9(16)17)2-1-3-10/h1-7H2,(H,16,17)
InChIKeyLWKXQUMALDONNV-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.50
Rot. Bonds2

About 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 116991160) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID116991160
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCC(F)(F)CC2)CCC1
InChIInChI=1S/C11H15F2NO3/c12-11(13)4-6-14(7-5-11)8(15)10(9(16)17)2-1-3-10/h1-7H2,(H,16,17)
InChIKeyLWKXQUMALDONNV-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-Difluoropiperidine-1-carbonyl)-cyclopropanecarboxylic acid
CID 89692939
(5R)-2-oxo-5-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
CID 170339946
(5S)-2-oxo-5-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
CID 170340177
1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096076
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096469
1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096473
1-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096475
1-[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096798
1-(2,2,2-Trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097289
3-Oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 62231400
1-[4-(2,2,2-Trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 62971965
3-Methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylic acid
CID 63133576

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 116991160) is 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)N2CCC(F)(F)CC2)CCC1.
What is the InChIKey of 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is LWKXQUMALDONNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c12-11(13)4-6-14(7-5-11)8(15)10(9(16)17)2-1-3-10/h1-7H2,(H,16,17).
What are the key properties of 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 247.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116991160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).