2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid

C9H14F3NO3 — CID 63902805

IUPAC2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-13-3-1-7(2-4-13)16-5-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyDCRLHWMMNKMGNQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.11
Rot. Bonds4

About 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid

2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63902805) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid
PubChem CID63902805
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-13-3-1-7(2-4-13)16-5-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyDCRLHWMMNKMGNQ-UHFFFAOYSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-Methylpiperidin-4-yl)oxy]acetic acid hydrochloride
CID 122236319
2-((1-Methylpiperidin-4-yl)oxy)acetic acid
CID 20719673
2-Piperidin-4-yloxyacetic acid;2,2,2-trifluoroacetic acid
CID 85673986
2-(3,3-Difluoropiperidin-4-yl)oxyacetic acid
CID 134533964
2-(3,5-Difluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134533988
2-(3-Fluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134534000
2-(3,3,5,5-Tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 134534001
2-(3,3-Difluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134534012
2-(5,5-Difluoro-1-methylpiperidin-3-yl)oxyacetic acid
CID 134534013
2-(3,5-Difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 139341808
2-(3,3-Difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 139341811
2-(1-Ethyl-5,5-difluoropiperidin-3-yl)oxyacetic acid
CID 139341883

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid (CID 63902805) is 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is DCRLHWMMNKMGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)6-13-3-1-7(2-4-13)16-5-8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 241.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63902805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).