N-butyl-2,2,3,3,3-pentafluoropropanamide

C7H10F5NO — CID 600675

IUPACN-butyl-2,2,3,3,3-pentafluoropropanamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO/c1-2-3-4-13-5(14)6(8,9)7(10,11)12/h2-4H2,1H3,(H,13,14)
InChIKeyWWYNROMKWUPSCK-UHFFFAOYSA-N
MW219.15 g/mol
LogP2.10
Rot. Bonds4

About N-butyl-2,2,3,3,3-pentafluoropropanamide

N-butyl-2,2,3,3,3-pentafluoropropanamide (PubChem CID 600675) has the molecular formula C7H10F5NO and a molecular weight of 219.15 g/mol. Its IUPAC name is N-butyl-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-butyl-2,2,3,3,3-pentafluoropropanamide
PubChem CID600675
Molecular FormulaC7H10F5NO
Molecular Weight219.15 g/mol
Exact Mass219.07
IUPAC NameN-butyl-2,2,3,3,3-pentafluoropropanamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO/c1-2-3-4-13-5(14)6(8,9)7(10,11)12/h2-4H2,1H3,(H,13,14)
InChIKeyWWYNROMKWUPSCK-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-butyl-2,2,3,3,3-pentafluoropropanamide (CID 600675) is N-butyl-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-butyl-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-butyl-2,2,3,3,3-pentafluoropropanamide is CCCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is WWYNROMKWUPSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO/c1-2-3-4-13-5(14)6(8,9)7(10,11)12/h2-4H2,1H3,(H,13,14).
What are the key properties of N-butyl-2,2,3,3,3-pentafluoropropanamide?
N-butyl-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 219.15 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 600675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).