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

C9H13F4NO2 — CID 103889494

IUPAC2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide
SMILESCC1CC(NC(=O)C(F)(F)C(F)F)CCO1
InChIInChI=1S/C9H13F4NO2/c1-5-4-6(2-3-16-5)14-8(15)9(12,13)7(10)11/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyVWDHCMKYZGKLIB-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.57
Rot. Bonds3

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

2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide (PubChem CID 103889494) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide
PubChem CID103889494
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide
SMILESCC1CC(NC(=O)C(F)(F)C(F)F)CCO1
InChIInChI=1S/C9H13F4NO2/c1-5-4-6(2-3-16-5)14-8(15)9(12,13)7(10)11/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyVWDHCMKYZGKLIB-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.57
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-tetrafluoro-N-(2-methyloxan-4-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide (CID 103889494) is 2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide is CC1CC(NC(=O)C(F)(F)C(F)F)CCO1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide?
The InChIKey is VWDHCMKYZGKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c1-5-4-6(2-3-16-5)14-8(15)9(12,13)7(10)11/h5-7H,2-4H2,1H3,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide?
2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide has a molecular weight of 243.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide is sourced from PubChem (CID 103889494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).