2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid

C10H14F3NO4 — CID 62691289

IUPAC2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-9(17)14-3-1-2-7(5-14)4-8(15)16/h7H,1-6H2,(H,15,16)
InChIKeyAYNVGEVTMKYTSO-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.87
Rot. Bonds3

About 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid

2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid (PubChem CID 62691289) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid
PubChem CID62691289
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C10H14F3NO4/c11-10(12,13)6-18-9(17)14-3-1-2-7(5-14)4-8(15)16/h7H,1-6H2,(H,15,16)
InChIKeyAYNVGEVTMKYTSO-UHFFFAOYSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]acetic acid
CID 79609155
2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
CID 65173275
2-[(3S)-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]acetic acid
CID 94539611
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
3-O-methyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,3-dicarboxylate
CID 78924639
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
2,2,2-trifluoroethyl 3-methylpyrrolidine-1-carboxylate
CID 62734498
2-[1-(4,4,4-trifluorobutylcarbamoyl)piperidin-3-yl]acetic acid
CID 115521318
2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate
CID 63719362
2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 61066497
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid (CID 62691289) is 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)OCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid?
The InChIKey is AYNVGEVTMKYTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c11-10(12,13)6-18-9(17)14-3-1-2-7(5-14)4-8(15)16/h7H,1-6H2,(H,15,16).
What are the key properties of 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid?
2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid has a molecular weight of 269.22 g/mol, XLogP of 1.87, 3 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-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62691289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).