N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

C9H16F3NO — CID 60766679

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-8(14)13(5-7(2)3)6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyHFTPTGBLEOCQEF-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.44
Rot. Bonds4

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60766679) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60766679
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-8(14)13(5-7(2)3)6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyHFTPTGBLEOCQEF-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 60766679) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is CCC(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HFTPTGBLEOCQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-8(14)13(5-7(2)3)6-9(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 211.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60766679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).