3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide

C6H7F6NO — CID 613887

IUPAC3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide
SMILESCN(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO/c1-13(2)4(14)3(5(7,8)9)6(10,11)12/h3H,1-2H3
InChIKeyAVKUZGFHMQVSPO-UHFFFAOYSA-N
MW223.12 g/mol
LogP1.82
Rot. Bonds1

About 3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide (PubChem CID 613887) has the molecular formula C6H7F6NO and a molecular weight of 223.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide
PubChem CID613887
Molecular FormulaC6H7F6NO
Molecular Weight223.12 g/mol
Exact Mass223.04
IUPAC Name3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide
SMILESCN(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO/c1-13(2)4(14)3(5(7,8)9)6(10,11)12/h3H,1-2H3
InChIKeyAVKUZGFHMQVSPO-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 51.82
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-dimethyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide (CID 613887) is 3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide is CN(C)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide?
The InChIKey is AVKUZGFHMQVSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO/c1-13(2)4(14)3(5(7,8)9)6(10,11)12/h3H,1-2H3.
What are the key properties of 3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide has a molecular weight of 223.12 g/mol, XLogP of 1.82, 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-dimethyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 613887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).