3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide

C10H14F6N2O — CID 90985974

IUPAC3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide
SMILESCC(C(=O)NN1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c1-8(9(11,12)13,10(14,15)16)7(19)17-18-5-3-2-4-6-18/h2-6H2,1H3,(H,17,19)
InChIKeySGENEFHRBTUGOH-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.63
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide (PubChem CID 90985974) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide
PubChem CID90985974
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC Name3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide
SMILESCC(C(=O)NN1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c1-8(9(11,12)13,10(14,15)16)7(19)17-18-5-3-2-4-6-18/h2-6H2,1H3,(H,17,19)
InChIKeySGENEFHRBTUGOH-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide (CID 90985974) is 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide is CC(C(=O)NN1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide?
The InChIKey is SGENEFHRBTUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O/c1-8(9(11,12)13,10(14,15)16)7(19)17-18-5-3-2-4-6-18/h2-6H2,1H3,(H,17,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide has a molecular weight of 292.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-piperidin-1-yl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 90985974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).