N,N-diethyl-2,2,3,3,3-pentafluoropropanamide

C7H10F5NO — CID 12647417

IUPACN,N-diethyl-2,2,3,3,3-pentafluoropropanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO/c1-3-13(4-2)5(14)6(8,9)7(10,11)12/h3-4H2,1-2H3
InChIKeySXUIGIYXZNBEFG-UHFFFAOYSA-N
MW219.15 g/mol
LogP2.05
Rot. Bonds3

About N,N-diethyl-2,2,3,3,3-pentafluoropropanamide

N,N-diethyl-2,2,3,3,3-pentafluoropropanamide (PubChem CID 12647417) has the molecular formula C7H10F5NO and a molecular weight of 219.15 g/mol. Its IUPAC name is N,N-diethyl-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN,N-diethyl-2,2,3,3,3-pentafluoropropanamide
PubChem CID12647417
Molecular FormulaC7H10F5NO
Molecular Weight219.15 g/mol
Exact Mass219.07
IUPAC NameN,N-diethyl-2,2,3,3,3-pentafluoropropanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO/c1-3-13(4-2)5(14)6(8,9)7(10,11)12/h3-4H2,1-2H3
InChIKeySXUIGIYXZNBEFG-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 52.05
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 N,N-diethyl-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N,N-diethyl-2,2,3,3,3-pentafluoropropanamide (CID 12647417) is N,N-diethyl-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N,N-diethyl-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N,N-diethyl-2,2,3,3,3-pentafluoropropanamide is CCN(CC)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is SXUIGIYXZNBEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO/c1-3-13(4-2)5(14)6(8,9)7(10,11)12/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2,3,3,3-pentafluoropropanamide?
N,N-diethyl-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 219.15 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 12647417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).