2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide

C9H16F3NO — CID 60770828

IUPAC2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO/c1-6(2)8(14)13(7(3)4)5-9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyHEEZMTBLAHRSTQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide

2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60770828) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60770828
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO/c1-6(2)8(14)13(7(3)4)5-9(10,11)12/h6-7H,5H2,1-4H3
InChIKeyHEEZMTBLAHRSTQ-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 60770828) is 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HEEZMTBLAHRSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)8(14)13(7(3)4)5-9(10,11)12/h6-7H,5H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 211.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60770828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).