5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide

C13H24F3NO — CID 58297222

IUPAC5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide
SMILESCN(C(=O)CCCC(F)(F)F)C(C)(C)C(C)(C)C
InChIInChI=1S/C13H24F3NO/c1-11(2,3)12(4,5)17(6)10(18)8-7-9-13(14,15)16/h7-9H2,1-6H3
InChIKeyWJPQFAOXWYPTPH-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.00
Rot. Bonds4

About 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide

5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide (PubChem CID 58297222) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide
PubChem CID58297222
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide
SMILESCN(C(=O)CCCC(F)(F)F)C(C)(C)C(C)(C)C
InChIInChI=1S/C13H24F3NO/c1-11(2,3)12(4,5)17(6)10(18)8-7-9-13(14,15)16/h7-9H2,1-6H3
InChIKeyWJPQFAOXWYPTPH-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide?
The IUPAC name of 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide (CID 58297222) is 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide is CN(C(=O)CCCC(F)(F)F)C(C)(C)C(C)(C)C.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide?
The InChIKey is WJPQFAOXWYPTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2,3)12(4,5)17(6)10(18)8-7-9-13(14,15)16/h7-9H2,1-6H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide?
5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide has a molecular weight of 267.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide is sourced from PubChem (CID 58297222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).