4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide

C12H22F3NO — CID 58297197

IUPAC4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide
SMILESCN(C(=O)CCC(F)(F)F)C(C)(C)C(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-10(2,3)11(4,5)16(6)9(17)7-8-12(13,14)15/h7-8H2,1-6H3
InChIKeyPZNRLMKYBGKUKE-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.61
Rot. Bonds3

About 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide

4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide (PubChem CID 58297197) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide
PubChem CID58297197
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide
SMILESCN(C(=O)CCC(F)(F)F)C(C)(C)C(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-10(2,3)11(4,5)16(6)9(17)7-8-12(13,14)15/h7-8H2,1-6H3
InChIKeyPZNRLMKYBGKUKE-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide (CID 58297197) is 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide is CN(C(=O)CCC(F)(F)F)C(C)(C)C(C)(C)C.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide?
The InChIKey is PZNRLMKYBGKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2,3)11(4,5)16(6)9(17)7-8-12(13,14)15/h7-8H2,1-6H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide?
4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide has a molecular weight of 253.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)butanamide is sourced from PubChem (CID 58297197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).