3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide

C8H7F10NO — CID 13196949

IUPAC3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide
SMILESCN(C)C(=O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F10NO/c1-19(2)4(20)3(6(11,12)13)5(9,10)7(14,15)8(16,17)18/h3H,1-2H3
InChIKeyVZVOGCDXTMCICD-UHFFFAOYSA-N
MW323.13 g/mol
LogP3.09
Rot. Bonds3

About 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide

3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide (PubChem CID 13196949) has the molecular formula C8H7F10NO and a molecular weight of 323.13 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide
PubChem CID13196949
Molecular FormulaC8H7F10NO
Molecular Weight323.13 g/mol
Exact Mass323.04
IUPAC Name3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide
SMILESCN(C)C(=O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F10NO/c1-19(2)4(20)3(6(11,12)13)5(9,10)7(14,15)8(16,17)18/h3H,1-2H3
InChIKeyVZVOGCDXTMCICD-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide (CID 13196949) is 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide is CN(C)C(=O)C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide?
The InChIKey is VZVOGCDXTMCICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F10NO/c1-19(2)4(20)3(6(11,12)13)5(9,10)7(14,15)8(16,17)18/h3H,1-2H3.
What are the key properties of 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide?
3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide has a molecular weight of 323.13 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoro-N,N-dimethyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 13196949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).