2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide

C9H12F5NO2 — CID 114241529

IUPAC2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide
SMILESCC1COCCC1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c1-5-4-17-3-2-6(5)15-7(16)8(10,11)9(12,13)14/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyQCKFHTOFJLSWSA-UHFFFAOYSA-N
MW261.19 g/mol
LogP1.73
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide

2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide (PubChem CID 114241529) has the molecular formula C9H12F5NO2 and a molecular weight of 261.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide
PubChem CID114241529
Molecular FormulaC9H12F5NO2
Molecular Weight261.19 g/mol
Exact Mass261.08
IUPAC Name2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide
SMILESCC1COCCC1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c1-5-4-17-3-2-6(5)15-7(16)8(10,11)9(12,13)14/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyQCKFHTOFJLSWSA-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 51.73
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 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide (CID 114241529) is 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide is CC1COCCC1NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide?
The InChIKey is QCKFHTOFJLSWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO2/c1-5-4-17-3-2-6(5)15-7(16)8(10,11)9(12,13)14/h5-6H,2-4H2,1H3,(H,15,16).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide?
2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide has a molecular weight of 261.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide is sourced from PubChem (CID 114241529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).