2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide

C13H24F3NO — CID 155053282

IUPAC2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)(C)CC(C(=O)NCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H24F3NO/c1-11(2,3)7-9(12(4,5)6)10(18)17-8-13(14,15)16/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyFJRIHEPSOZCNRP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.76
Rot. Bonds3

About 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide

2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 155053282) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID155053282
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)(C)CC(C(=O)NCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H24F3NO/c1-11(2,3)7-9(12(4,5)6)10(18)17-8-13(14,15)16/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyFJRIHEPSOZCNRP-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 155053282) is 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide is CC(C)(C)CC(C(=O)NCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is FJRIHEPSOZCNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2,3)7-9(12(4,5)6)10(18)17-8-13(14,15)16/h9H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide?
2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 267.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 155053282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).