N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C8H14F3NO — CID 60758717

IUPACN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)C
InChIInChI=1S/C8H14F3NO/c1-4-12(5-8(9,10)11)7(13)6(2)3/h6H,4-5H2,1-3H3
InChIKeyNUVVHUPSJWFBAR-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.05
Rot. Bonds3

About N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60758717) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60758717
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)C
InChIInChI=1S/C8H14F3NO/c1-4-12(5-8(9,10)11)7(13)6(2)3/h6H,4-5H2,1-3H3
InChIKeyNUVVHUPSJWFBAR-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 60758717) is N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NUVVHUPSJWFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-4-12(5-8(9,10)11)7(13)6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 197.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60758717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).