ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride

C12H20ClF2NO2 — CID 126845612

IUPACethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride
SMILESCCOC(=O)CC1C(C2CCCCN2)C1(F)F.Cl
InChIInChI=1S/C12H19F2NO2.ClH/c1-2-17-10(16)7-8-11(12(8,13)14)9-5-3-4-6-15-9;/h8-9,11,15H,2-7H2,1H3;1H
InChIKeyXALHFDQDZUNZNC-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.38
Rot. Bonds4

About ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride

ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride (PubChem CID 126845612) has the molecular formula C12H20ClF2NO2 and a molecular weight of 283.75 g/mol. Its IUPAC name is ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride
PubChem CID126845612
Molecular FormulaC12H20ClF2NO2
Molecular Weight283.75 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride
SMILESCCOC(=O)CC1C(C2CCCCN2)C1(F)F.Cl
InChIInChI=1S/C12H19F2NO2.ClH/c1-2-17-10(16)7-8-11(12(8,13)14)9-5-3-4-6-15-9;/h8-9,11,15H,2-7H2,1H3;1H
InChIKeyXALHFDQDZUNZNC-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride
CID 126845345
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
ethyl 2-piperidin-2-yloxyacetate
CID 68921876
ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate
CID 79541683
ethyl 3-piperidin-2-ylpentanoate
CID 67315004
ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
CID 132992939
ethyl 3-(2-piperidin-2-ylethylsulfanyl)propanoate
CID 134086079
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl 2-[(2R,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]acetate
CID 7298248
2-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845216
2-(3-cyclopentyl-2,2-difluorocyclopropyl)pyrrolidine
CID 126845474

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride (CID 126845612) is ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride is CCOC(=O)CC1C(C2CCCCN2)C1(F)F.Cl.
What is the InChIKey of ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride?
The InChIKey is XALHFDQDZUNZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2.ClH/c1-2-17-10(16)7-8-11(12(8,13)14)9-5-3-4-6-15-9;/h8-9,11,15H,2-7H2,1H3;1H.
What are the key properties of ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride?
ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride has a molecular weight of 283.75 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride is sourced from PubChem (CID 126845612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).