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

C9H16F3NO — CID 175635601

IUPAC2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide
SMILESCC(C)C(=O)NC(C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-5(2)7(9(10,11)12)13-8(14)6(3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyNZIMTKGCJXCMCM-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.35
Rot. Bonds3

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

2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide (PubChem CID 175635601) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide
PubChem CID175635601
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide
SMILESCC(C)C(=O)NC(C(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-5(2)7(9(10,11)12)13-8(14)6(3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyNZIMTKGCJXCMCM-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide (CID 175635601) is 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide is CC(C)C(=O)NC(C(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide?
The InChIKey is NZIMTKGCJXCMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-5(2)7(9(10,11)12)13-8(14)6(3)4/h5-7H,1-4H3,(H,13,14).
What are the key properties of 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide?
2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide has a molecular weight of 211.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 175635601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).