methyl 2,2,2-trifluoroacetate;piperidine

C8H14F3NO2 — CID 67880955

IUPACmethyl 2,2,2-trifluoroacetate;piperidine
SMILESC1CCNCC1.COC(=O)C(F)(F)F
InChIInChI=1S/C5H11N.C3H3F3O2/c1-2-4-6-5-3-1;1-8-2(7)3(4,5)6/h6H,1-5H2;1H3
InChIKeySFXKNJMLAVUZLD-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds

About methyl 2,2,2-trifluoroacetate;piperidine

methyl 2,2,2-trifluoroacetate;piperidine (PubChem CID 67880955) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is methyl 2,2,2-trifluoroacetate;piperidine.

Molecular Properties

Compound Namemethyl 2,2,2-trifluoroacetate;piperidine
PubChem CID67880955
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Namemethyl 2,2,2-trifluoroacetate;piperidine
SMILESC1CCNCC1.COC(=O)C(F)(F)F
InChIInChI=1S/C5H11N.C3H3F3O2/c1-2-4-6-5-3-1;1-8-2(7)3(4,5)6/h6H,1-5H2;1H3
InChIKeySFXKNJMLAVUZLD-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,2-trifluoroacetate;piperidine?
The IUPAC name of methyl 2,2,2-trifluoroacetate;piperidine (CID 67880955) is methyl 2,2,2-trifluoroacetate;piperidine.
What is the SMILES notation for methyl 2,2,2-trifluoroacetate;piperidine?
The canonical SMILES for methyl 2,2,2-trifluoroacetate;piperidine is C1CCNCC1.COC(=O)C(F)(F)F.
What is the InChIKey of methyl 2,2,2-trifluoroacetate;piperidine?
The InChIKey is SFXKNJMLAVUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H3F3O2/c1-2-4-6-5-3-1;1-8-2(7)3(4,5)6/h6H,1-5H2;1H3.
What are the key properties of methyl 2,2,2-trifluoroacetate;piperidine?
methyl 2,2,2-trifluoroacetate;piperidine has a molecular weight of 213.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,2-trifluoroacetate;piperidine is sourced from PubChem (CID 67880955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).