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

C9H14F3NO2 — CID 82391676

IUPAC2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-7-3-6(1-2-13-7)4-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyZRPCLROCFKZAED-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.78
Rot. Bonds3

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

2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid (PubChem CID 82391676) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid
PubChem CID82391676
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-7-3-6(1-2-13-7)4-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyZRPCLROCFKZAED-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid (CID 82391676) is 2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCNC(CC(F)(F)F)C1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid?
The InChIKey is ZRPCLROCFKZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)5-7-3-6(1-2-13-7)4-8(14)15/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of 2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid?
2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid has a molecular weight of 225.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 82391676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).