2-(3,3-difluoropiperidin-1-yl)acetic acid

C7H11F2NO2 — CID 115015303

IUPAC2-(3,3-difluoropiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c8-7(9)2-1-3-10(5-7)4-6(11)12/h1-5H2,(H,11,12)
InChIKeyNPCZGFDNELOHSQ-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.80
Rot. Bonds2

About 2-(3,3-difluoropiperidin-1-yl)acetic acid

2-(3,3-difluoropiperidin-1-yl)acetic acid (PubChem CID 115015303) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-1-yl)acetic acid
PubChem CID115015303
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-(3,3-difluoropiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c8-7(9)2-1-3-10(5-7)4-6(11)12/h1-5H2,(H,11,12)
InChIKeyNPCZGFDNELOHSQ-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Piperidin-1-yl)acetic acid hydrochloride
CID 201096
Piperidin-1-yl-acetic acid
CID 201097
2-(4-(Trifluoromethyl)piperidin-1-yl)acetic acid
CID 65536486
2-[4-(Trifluoromethyl)piperidin-1-yl]acetic acid hydrochloride
CID 71757984
Sodium;2-piperidin-1-ylacetic acid
CID 24182180
1-Methylpiperidine;2,2,2-trifluoroacetic acid
CID 12593400
2-(2,2,3,3,4,4,5,5,6,6-Decafluoropiperidin-1-yl)acetic acid
CID 23370829
Potassium 2,2-difluoro-2-piperidin-1-ylacetate
CID 23717379
2-(3-(Trifluoromethyl)piperidin-1-yl)acetic acid
CID 60712638
1-Piperidineacetic acid, 4,4-difluoro-, methyl ester
CID 67047003
2-Piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid
CID 70060753
2-(4-Fluoropiperidin-1-yl)acetic acid
CID 73554114

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-1-yl)acetic acid?
The IUPAC name of 2-(3,3-difluoropiperidin-1-yl)acetic acid (CID 115015303) is 2-(3,3-difluoropiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,3-difluoropiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(3,3-difluoropiperidin-1-yl)acetic acid is O=C(O)CN1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropiperidin-1-yl)acetic acid?
The InChIKey is NPCZGFDNELOHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9)2-1-3-10(5-7)4-6(11)12/h1-5H2,(H,11,12).
What are the key properties of 2-(3,3-difluoropiperidin-1-yl)acetic acid?
2-(3,3-difluoropiperidin-1-yl)acetic acid has a molecular weight of 179.17 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-1-yl)acetic acid is sourced from PubChem (CID 115015303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).