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

C8H11F6NO — CID 137435557

IUPAC2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H11F6NO/c1-5(2)6(16)15(3-7(9,10)11)4-8(12,13)14/h5H,3-4H2,1-2H3
InChIKeyIDRKNWIQKIYIFY-UHFFFAOYSA-N
MW251.17 g/mol
LogP2.60
Rot. Bonds3

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

2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide (PubChem CID 137435557) has the molecular formula C8H11F6NO and a molecular weight of 251.17 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide
PubChem CID137435557
Molecular FormulaC8H11F6NO
Molecular Weight251.17 g/mol
Exact Mass251.07
IUPAC Name2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H11F6NO/c1-5(2)6(16)15(3-7(9,10)11)4-8(12,13)14/h5H,3-4H2,1-2H3
InChIKeyIDRKNWIQKIYIFY-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide (CID 137435557) is 2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide is CC(C)C(=O)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IDRKNWIQKIYIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO/c1-5(2)6(16)15(3-7(9,10)11)4-8(12,13)14/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide?
2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide has a molecular weight of 251.17 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 137435557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).