2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate

C11H18F3NO2 — CID 103713692

IUPAC2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-8(2)9-3-5-15(6-4-9)10(16)17-7-11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyGNWCKCFKAZGHKC-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.05
Rot. Bonds2

About 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate

2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 103713692) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate
PubChem CID103713692
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-8(2)9-3-5-15(6-4-9)10(16)17-7-11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyGNWCKCFKAZGHKC-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate (CID 103713692) is 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is GNWCKCFKAZGHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-8(2)9-3-5-15(6-4-9)10(16)17-7-11(12,13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 103713692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).