ethyl 3,3-difluoropiperidine-4-carboxylate

C8H13F2NO2 — CID 105446715

IUPACethyl 3,3-difluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1CCNCC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-13-7(12)6-3-4-11-5-8(6,9)10/h6,11H,2-5H2,1H3
InChIKeyYXBILDWCXMGIER-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.79
Rot. Bonds2

About ethyl 3,3-difluoropiperidine-4-carboxylate

ethyl 3,3-difluoropiperidine-4-carboxylate (PubChem CID 105446715) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is ethyl 3,3-difluoropiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,3-difluoropiperidine-4-carboxylate
PubChem CID105446715
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Nameethyl 3,3-difluoropiperidine-4-carboxylate
SMILESCCOC(=O)C1CCNCC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-13-7(12)6-3-4-11-5-8(6,9)10/h6,11H,2-5H2,1H3
InChIKeyYXBILDWCXMGIER-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
3,3-difluoro-N-methoxypiperidine-4-carboxamide
CID 131047905
(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
CID 163342247
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
ethyl (1R,3S,4S)-5,5-difluoro-2-azabicyclo[2.2.2]octane-3-carboxylate
CID 141191763
ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
CID 132992939

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-difluoropiperidine-4-carboxylate?
The IUPAC name of ethyl 3,3-difluoropiperidine-4-carboxylate (CID 105446715) is ethyl 3,3-difluoropiperidine-4-carboxylate.
What is the SMILES notation for ethyl 3,3-difluoropiperidine-4-carboxylate?
The canonical SMILES for ethyl 3,3-difluoropiperidine-4-carboxylate is CCOC(=O)C1CCNCC1(F)F.
What is the InChIKey of ethyl 3,3-difluoropiperidine-4-carboxylate?
The InChIKey is YXBILDWCXMGIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-13-7(12)6-3-4-11-5-8(6,9)10/h6,11H,2-5H2,1H3.
What are the key properties of ethyl 3,3-difluoropiperidine-4-carboxylate?
ethyl 3,3-difluoropiperidine-4-carboxylate has a molecular weight of 193.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-difluoropiperidine-4-carboxylate is sourced from PubChem (CID 105446715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).