methyl 2-(trifluoromethyl)piperidine-4-carboxylate

C8H12F3NO2 — CID 83916794

IUPACmethyl 2-(trifluoromethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-14-7(13)5-2-3-12-6(4-5)8(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyHANQCLPESNCXRF-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.09
Rot. Bonds1

About methyl 2-(trifluoromethyl)piperidine-4-carboxylate

methyl 2-(trifluoromethyl)piperidine-4-carboxylate (PubChem CID 83916794) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is methyl 2-(trifluoromethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(trifluoromethyl)piperidine-4-carboxylate
PubChem CID83916794
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Namemethyl 2-(trifluoromethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-14-7(13)5-2-3-12-6(4-5)8(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyHANQCLPESNCXRF-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(trifluoromethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 2-(trifluoromethyl)piperidine-4-carboxylate (CID 83916794) is methyl 2-(trifluoromethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 2-(trifluoromethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 2-(trifluoromethyl)piperidine-4-carboxylate is COC(=O)C1CCNC(C(F)(F)F)C1.
What is the InChIKey of methyl 2-(trifluoromethyl)piperidine-4-carboxylate?
The InChIKey is HANQCLPESNCXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-14-7(13)5-2-3-12-6(4-5)8(9,10)11/h5-6,12H,2-4H2,1H3.
What are the key properties of methyl 2-(trifluoromethyl)piperidine-4-carboxylate?
methyl 2-(trifluoromethyl)piperidine-4-carboxylate has a molecular weight of 211.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trifluoromethyl)piperidine-4-carboxylate is sourced from PubChem (CID 83916794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).