N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide

C8H14F3NO — CID 87943413

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

About N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide

N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 87943413) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-3,3,3-trifluoro-2-methylpropanamide
PubChem CID87943413
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN,N-diethyl-3,3,3-trifluoro-2-methylpropanamide
SMILESCCN(CC)C(=O)C(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-4-12(5-2)7(13)6(3)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyMKNGHVXMGMNWHT-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,N-diethyl-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide (CID 87943413) is N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide is CCN(CC)C(=O)C(C)C(F)(F)F.
What is the InChIKey of N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is MKNGHVXMGMNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-4-12(5-2)7(13)6(3)8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide?
N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide 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,N-diethyl-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 87943413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).