3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide

C9H16F3NO — CID 49365947

IUPAC3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide
SMILESCCCC(C)(C)NC(=O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-5-8(2,3)13-7(14)6-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyLKSMNRUIVSKQJY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.63
Rot. Bonds4

About 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide

3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide (PubChem CID 49365947) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide
PubChem CID49365947
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide
SMILESCCCC(C)(C)NC(=O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-5-8(2,3)13-7(14)6-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyLKSMNRUIVSKQJY-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide (CID 49365947) is 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide is CCCC(C)(C)NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide?
The InChIKey is LKSMNRUIVSKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-5-8(2,3)13-7(14)6-9(10,11)12/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide?
3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide has a molecular weight of 211.23 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide is sourced from PubChem (CID 49365947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).