3,3,3-trifluoro-N,N,2-trimethylpropanamide

C6H10F3NO — CID 58658250

IUPAC3,3,3-trifluoro-N,N,2-trimethylpropanamide
SMILESCC(C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4(6(7,8)9)5(11)10(2)3/h4H,1-3H3
InChIKeyOQSSRODJUYFJHC-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.27
Rot. Bonds1

About 3,3,3-trifluoro-N,N,2-trimethylpropanamide

3,3,3-trifluoro-N,N,2-trimethylpropanamide (PubChem CID 58658250) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N,2-trimethylpropanamide
PubChem CID58658250
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3,3,3-trifluoro-N,N,2-trimethylpropanamide
SMILESCC(C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4(6(7,8)9)5(11)10(2)3/h4H,1-3H3
InChIKeyOQSSRODJUYFJHC-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N,2-trimethylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N,N,2-trimethylpropanamide (CID 58658250) is 3,3,3-trifluoro-N,N,2-trimethylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N,2-trimethylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N,N,2-trimethylpropanamide is CC(C(=O)N(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N,2-trimethylpropanamide?
The InChIKey is OQSSRODJUYFJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-4(6(7,8)9)5(11)10(2)3/h4H,1-3H3.
What are the key properties of 3,3,3-trifluoro-N,N,2-trimethylpropanamide?
3,3,3-trifluoro-N,N,2-trimethylpropanamide has a molecular weight of 169.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N,2-trimethylpropanamide is sourced from PubChem (CID 58658250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).