ethyl 4-(trifluoromethyl)piperidine-4-carboxylate

C9H14F3NO2 — CID 66977112

IUPACethyl 4-(trifluoromethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C9H14F3NO2/c1-2-15-7(14)8(9(10,11)12)3-5-13-6-4-8/h13H,2-6H2,1H3
InChIKeyAHRBNYBJXZIZAI-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.48
Rot. Bonds2

About ethyl 4-(trifluoromethyl)piperidine-4-carboxylate

ethyl 4-(trifluoromethyl)piperidine-4-carboxylate (PubChem CID 66977112) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is ethyl 4-(trifluoromethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(trifluoromethyl)piperidine-4-carboxylate
PubChem CID66977112
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Nameethyl 4-(trifluoromethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CCNCC1
InChIInChI=1S/C9H14F3NO2/c1-2-15-7(14)8(9(10,11)12)3-5-13-6-4-8/h13H,2-6H2,1H3
InChIKeyAHRBNYBJXZIZAI-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(trifluoromethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(trifluoromethyl)piperidine-4-carboxylate (CID 66977112) is ethyl 4-(trifluoromethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(trifluoromethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(trifluoromethyl)piperidine-4-carboxylate is CCOC(=O)C1(C(F)(F)F)CCNCC1.
What is the InChIKey of ethyl 4-(trifluoromethyl)piperidine-4-carboxylate?
The InChIKey is AHRBNYBJXZIZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-15-7(14)8(9(10,11)12)3-5-13-6-4-8/h13H,2-6H2,1H3.
What are the key properties of ethyl 4-(trifluoromethyl)piperidine-4-carboxylate?
ethyl 4-(trifluoromethyl)piperidine-4-carboxylate has a molecular weight of 225.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(trifluoromethyl)piperidine-4-carboxylate is sourced from PubChem (CID 66977112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).