2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide

C10H10F9NO2 — CID 4083879

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide
SMILESO=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9NO2/c11-7(12,6(21)20-4-5-2-1-3-22-5)8(13,14)9(15,16)10(17,18)19/h5H,1-4H2,(H,20,21)
InChIKeyKUNKLPGQORJDDW-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.75
Rot. Bonds5

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 4083879) has the molecular formula C10H10F9NO2 and a molecular weight of 347.18 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID4083879
Molecular FormulaC10H10F9NO2
Molecular Weight347.18 g/mol
Exact Mass347.06
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide
SMILESO=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9NO2/c11-7(12,6(21)20-4-5-2-1-3-22-5)8(13,14)9(15,16)10(17,18)19/h5H,1-4H2,(H,20,21)
InChIKeyKUNKLPGQORJDDW-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide (CID 4083879) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide is O=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is KUNKLPGQORJDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9NO2/c11-7(12,6(21)20-4-5-2-1-3-22-5)8(13,14)9(15,16)10(17,18)19/h5H,1-4H2,(H,20,21).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 347.18 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 4083879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).