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

C9H13F4NO2 — CID 103899295

IUPAC2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide
SMILESCC1(NC(=O)C(F)(F)C(F)F)CCCOC1
InChIInChI=1S/C9H13F4NO2/c1-8(3-2-4-16-5-8)14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyPWGILQHSSJAMKA-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.57
Rot. Bonds3

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

2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide (PubChem CID 103899295) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide
PubChem CID103899295
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide
SMILESCC1(NC(=O)C(F)(F)C(F)F)CCCOC1
InChIInChI=1S/C9H13F4NO2/c1-8(3-2-4-16-5-8)14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyPWGILQHSSJAMKA-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'}

Analyze 2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide (CID 103899295) is 2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide is CC1(NC(=O)C(F)(F)C(F)F)CCCOC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide?
The InChIKey is PWGILQHSSJAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c1-8(3-2-4-16-5-8)14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-(3-methyloxan-3-yl)propanamide?
2,2,3,3-tetrafluoro-N-(3-methyloxan-3-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-(3-methyloxan-3-yl)propanamide is sourced from PubChem (CID 103899295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).