2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate

C9H14F3NO2 — CID 65173275

IUPAC2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-7-3-2-4-13(5-7)8(14)15-6-9(10,11)12/h7H,2-6H2,1H3
InChIKeyHYWODUARKXTGHF-UHFFFAOYSA-N
MW225.21 g/mol
LogP2.42
Rot. Bonds1

About 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate

2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate (PubChem CID 65173275) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
PubChem CID65173275
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-7-3-2-4-13(5-7)8(14)15-6-9(10,11)12/h7H,2-6H2,1H3
InChIKeyHYWODUARKXTGHF-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl 3-methylpyrrolidine-1-carboxylate
CID 62734498
3-O-methyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,3-dicarboxylate
CID 78924639
2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-3-yl]acetic acid
CID 62691289
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 61066497
2-bromoethyl 3-methylpiperidine-1-carboxylate
CID 103970529
2,2,2-trifluoroethyl 4-acetyl-1,4-diazepane-1-carboxylate
CID 65173403
2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate
CID 63719362
2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate
CID 78927150
2,2,2-trifluoroethyl 3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 122267285
3-methylpiperidine-1-carboxamide
CID 16786142
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate (CID 65173275) is 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate is CC1CCCN(C(=O)OCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate?
The InChIKey is HYWODUARKXTGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7-3-2-4-13(5-7)8(14)15-6-9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate?
2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate has a molecular weight of 225.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 65173275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).