N,N-diethyl-2-(trifluoromethyl)butanamide

C9H16F3NO — CID 87943528

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

About N,N-diethyl-2-(trifluoromethyl)butanamide

N,N-diethyl-2-(trifluoromethyl)butanamide (PubChem CID 87943528) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N,N-diethyl-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(trifluoromethyl)butanamide
PubChem CID87943528
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN,N-diethyl-2-(trifluoromethyl)butanamide
SMILESCCC(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-7(9(10,11)12)8(14)13(5-2)6-3/h7H,4-6H2,1-3H3
InChIKeyGEOUZCQWNVUBGU-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,N-diethyl-2-(trifluoromethyl)butanamide?
The IUPAC name of N,N-diethyl-2-(trifluoromethyl)butanamide (CID 87943528) is N,N-diethyl-2-(trifluoromethyl)butanamide.
What is the SMILES notation for N,N-diethyl-2-(trifluoromethyl)butanamide?
The canonical SMILES for N,N-diethyl-2-(trifluoromethyl)butanamide is CCC(C(=O)N(CC)CC)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-(trifluoromethyl)butanamide?
The InChIKey is GEOUZCQWNVUBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-7(9(10,11)12)8(14)13(5-2)6-3/h7H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-2-(trifluoromethyl)butanamide?
N,N-diethyl-2-(trifluoromethyl)butanamide 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,N-diethyl-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 87943528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).