5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane

C10H19F2NO2 — CID 144812819

IUPAC5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane
SMILESCC.CC1(C)CC(F)(F)CNC1C(=O)O
InChIInChI=1S/C8H13F2NO2.C2H6/c1-7(2)3-8(9,10)4-11-5(7)6(12)13;1-2/h5,11H,3-4H2,1-2H3,(H,12,13);1-2H3
InChIKeyFYOHKIQTGJUMKY-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.12
Rot. Bonds1

About 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane

5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane (PubChem CID 144812819) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane
PubChem CID144812819
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane
SMILESCC.CC1(C)CC(F)(F)CNC1C(=O)O
InChIInChI=1S/C8H13F2NO2.C2H6/c1-7(2)3-8(9,10)4-11-5(7)6(12)13;1-2/h5,11H,3-4H2,1-2H3,(H,12,13);1-2H3
InChIKeyFYOHKIQTGJUMKY-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3,3,4,4-tetrafluoropyrrolidine-2-carboxylic acid
CID 118577900
(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide
CID 139998983
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
(2S)-5,5-difluoropiperidine-2-carboxylic acid
CID 45082546
(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
CID 154707113
(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 170166786
2-(4,4-difluoro-2-methylpyrrolidin-2-yl)acetic acid
CID 174770713
(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
CID 162760358
(3R)-2-azaspiro[3.5]nonane-3-carboxylic acid
CID 92845496
(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 21149485
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
(1R,3R,4R)-1,4-dimethyl-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 126969666

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane?
The IUPAC name of 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane (CID 144812819) is 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane.
What is the SMILES notation for 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane?
The canonical SMILES for 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane is CC.CC1(C)CC(F)(F)CNC1C(=O)O.
What is the InChIKey of 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane?
The InChIKey is FYOHKIQTGJUMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2.C2H6/c1-7(2)3-8(9,10)4-11-5(7)6(12)13;1-2/h5,11H,3-4H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane?
5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane has a molecular weight of 223.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3,3-dimethylpiperidine-2-carboxylic acid;ethane is sourced from PubChem (CID 144812819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).