1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid

C9H13F2NO3 — CID 103513470

IUPAC1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)C(F)F
InChIInChI=1S/C9H13F2NO3/c1-9(8(14)15)4-2-3-5-12(9)7(13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyMAPNAOBPONWFIN-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.11
Rot. Bonds2

About 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid

1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 103513470) has the molecular formula C9H13F2NO3 and a molecular weight of 221.20 g/mol. Its IUPAC name is 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID103513470
Molecular FormulaC9H13F2NO3
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Name1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)C(F)F
InChIInChI=1S/C9H13F2NO3/c1-9(8(14)15)4-2-3-5-12(9)7(13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyMAPNAOBPONWFIN-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
1-(4,4-difluorocyclohexanecarbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594727
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid
CID 82985562
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 104595515
1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597324
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid (CID 103513470) is 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)C(F)F.
What is the InChIKey of 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is MAPNAOBPONWFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3/c1-9(8(14)15)4-2-3-5-12(9)7(13)6(10)11/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid?
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 221.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 103513470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).