2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide

C5H6F5NO — CID 20503877

IUPAC2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO/c1-11(2)3(12)4(6,7)5(8,9)10/h1-2H3
InChIKeyDSSAYXNOUMDUCS-UHFFFAOYSA-N
MW191.10 g/mol
LogP1.27
Rot. Bonds1

About 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide

2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide (PubChem CID 20503877) has the molecular formula C5H6F5NO and a molecular weight of 191.10 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide
PubChem CID20503877
Molecular FormulaC5H6F5NO
Molecular Weight191.10 g/mol
Exact Mass191.04
IUPAC Name2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO/c1-11(2)3(12)4(6,7)5(8,9)10/h1-2H3
InChIKeyDSSAYXNOUMDUCS-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-N,N-dimethylacetamide
CID 350491
3,3,3-trifluoro-N,N-dimethylpropanamide
CID 15104044
N,N-diethyl-2,2,3,3-tetrafluoropropanamide
CID 136233
3,3,3-Trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide
CID 613887
Dimethylamine, N-heptafluorobutyryl-
CID 19868297
N,N-Diethyl-2,3,3,3-tetrafluoropropionamide
CID 2774042
N,N-bis(trifluoro-methyl)propionamide
CID 129658002
N,N-diethyl-2,2,3,3,3-pentafluoropropanamide
CID 12647417
2,2,3,4,4,4-hexafluoro-N,N-dimethylbutanamide
CID 17997712
N-methyl-N-(trifluoromethyl)propanamide
CID 20642405
2,2-difluoro-N,N-dimethylpropanamide
CID 60093487
N,N-bis(fluoromethyl)propanamide
CID 89616572

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide (CID 20503877) is 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide is CN(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide?
The InChIKey is DSSAYXNOUMDUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO/c1-11(2)3(12)4(6,7)5(8,9)10/h1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide?
2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide has a molecular weight of 191.10 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 2,2,3,3,3-pentafluoro-N,N-dimethylpropanamide is sourced from PubChem (CID 20503877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).