1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C10H15F5N2O — CID 100610907

IUPAC1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(CC(F)F)CC1
InChIInChI=1S/C10H15F5N2O/c11-8(12)5-17-3-1-7(2-4-17)9(18)16-6-10(13,14)15/h7-8H,1-6H2,(H,16,18)
InChIKeyOKDCOUSGAYBUAH-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.64
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 100610907) has the molecular formula C10H15F5N2O and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID100610907
Molecular FormulaC10H15F5N2O
Molecular Weight274.23 g/mol
Exact Mass274.11
IUPAC Name1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(CC(F)F)CC1
InChIInChI=1S/C10H15F5N2O/c11-8(12)5-17-3-1-7(2-4-17)9(18)16-6-10(13,14)15/h7-8H,1-6H2,(H,16,18)
InChIKeyOKDCOUSGAYBUAH-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 100610907) is 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is OKDCOUSGAYBUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5N2O/c11-8(12)5-17-3-1-7(2-4-17)9(18)16-6-10(13,14)15/h7-8H,1-6H2,(H,16,18).
What are the key properties of 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 274.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 100610907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).