(2,2-difluoropiperidin-4-yl) acetate

C7H11F2NO2 — CID 174917089

IUPAC(2,2-difluoropiperidin-4-yl) acetate
SMILESCC(=O)OC1CCNC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(11)12-6-2-3-10-7(8,9)4-6/h6,10H,2-4H2,1H3
InChIKeyPYZYCVGLEAPODA-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.89
Rot. Bonds1

About (2,2-difluoropiperidin-4-yl) acetate

(2,2-difluoropiperidin-4-yl) acetate (PubChem CID 174917089) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2,2-difluoropiperidin-4-yl) acetate.

Molecular Properties

Compound Name(2,2-difluoropiperidin-4-yl) acetate
PubChem CID174917089
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(2,2-difluoropiperidin-4-yl) acetate
SMILESCC(=O)OC1CCNC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(11)12-6-2-3-10-7(8,9)4-6/h6,10H,2-4H2,1H3
InChIKeyPYZYCVGLEAPODA-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethane;piperidin-4-yl acetate
CID 144574283
(4,4-diaminocyclohexyl) acetate
CID 174708289
(6-acetyloxycyclodecyl) acetate
CID 539578
(1,2,2-trimethylpiperidin-4-yl) acetate
CID 163597402
cycloheptadecyl acetate
CID 57215828
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
CID 70197099
[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
CID 123414870
cis-methyl (1R,2R)-2-acetyloxy-1-carbamoylcyclopropane-1-carboxylate
CID 134872426
(3,3-difluorocyclopentyl) 2-methylpropanoate
CID 155710616

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoropiperidin-4-yl) acetate?
The IUPAC name of (2,2-difluoropiperidin-4-yl) acetate (CID 174917089) is (2,2-difluoropiperidin-4-yl) acetate.
What is the SMILES notation for (2,2-difluoropiperidin-4-yl) acetate?
The canonical SMILES for (2,2-difluoropiperidin-4-yl) acetate is CC(=O)OC1CCNC(F)(F)C1.
What is the InChIKey of (2,2-difluoropiperidin-4-yl) acetate?
The InChIKey is PYZYCVGLEAPODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-5(11)12-6-2-3-10-7(8,9)4-6/h6,10H,2-4H2,1H3.
What are the key properties of (2,2-difluoropiperidin-4-yl) acetate?
(2,2-difluoropiperidin-4-yl) acetate has a molecular weight of 179.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoropiperidin-4-yl) acetate is sourced from PubChem (CID 174917089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).