methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate

C10H16F3NO3 — CID 58450249

IUPACmethyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(OC)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c1-16-8(10(11,12)13)7-3-5-14(6-4-7)9(15)17-2/h7-8H,3-6H2,1-2H3
InChIKeyYXIOZARGDZUXIU-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.04
Rot. Bonds2

About methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate

methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate (PubChem CID 58450249) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate
PubChem CID58450249
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namemethyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(OC)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c1-16-8(10(11,12)13)7-3-5-14(6-4-7)9(15)17-2/h7-8H,3-6H2,1-2H3
InChIKeyYXIOZARGDZUXIU-UHFFFAOYSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate (CID 58450249) is methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate is COC(=O)N1CCC(C(OC)C(F)(F)F)CC1.
What is the InChIKey of methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate?
The InChIKey is YXIOZARGDZUXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-16-8(10(11,12)13)7-3-5-14(6-4-7)9(15)17-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate?
methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2,2-trifluoro-1-methoxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 58450249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).