2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid

C9H15F2NO2 — CID 105460001

IUPAC2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid
SMILESCCN1CCCC(C(F)(F)C(=O)O)C1
InChIInChI=1S/C9H15F2NO2/c1-2-12-5-3-4-7(6-12)9(10,11)8(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyDPCSEGOHLGNTRM-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.44
Rot. Bonds3

About 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid

2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid (PubChem CID 105460001) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid
PubChem CID105460001
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid
SMILESCCN1CCCC(C(F)(F)C(=O)O)C1
InChIInChI=1S/C9H15F2NO2/c1-2-12-5-3-4-7(6-12)9(10,11)8(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyDPCSEGOHLGNTRM-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982971
3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197467
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid
CID 105443609
2-(1-ethylpiperidin-3-yl)-2-hydroxy-2-(1-phenylcyclopentyl)acetic acid
CID 23616869
2-methyl-2-[1-(2-methylidenebutyl)piperidin-3-yl]propanoic acid
CID 83198145
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198082
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-ethyl-2-[(3-methylpiperidin-1-yl)methyl]butanoic acid
CID 62271358
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 83982976

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid (CID 105460001) is 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid is CCN1CCCC(C(F)(F)C(=O)O)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid?
The InChIKey is DPCSEGOHLGNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-12-5-3-4-7(6-12)9(10,11)8(13)14/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid?
2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid has a molecular weight of 207.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 105460001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).