2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide

C9H13F4NO2 — CID 102562915

IUPAC2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESO=C(CC1CCCO1)NCC(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c10-8(11)9(12,13)5-14-7(15)4-6-2-1-3-16-6/h6,8H,1-5H2,(H,14,15)
InChIKeyBWTUOLSBICOZOH-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.57
Rot. Bonds5

About 2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide

2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide (PubChem CID 102562915) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide
PubChem CID102562915
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESO=C(CC1CCCO1)NCC(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c10-8(11)9(12,13)5-14-7(15)4-6-2-1-3-16-6/h6,8H,1-5H2,(H,14,15)
InChIKeyBWTUOLSBICOZOH-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The IUPAC name of 2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide (CID 102562915) is 2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide is O=C(CC1CCCO1)NCC(F)(F)C(F)F.
What is the InChIKey of 2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The InChIKey is BWTUOLSBICOZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c10-8(11)9(12,13)5-14-7(15)4-6-2-1-3-16-6/h6,8H,1-5H2,(H,14,15).
What are the key properties of 2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide?
2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide has a molecular weight of 243.20 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-(2,2,3,3-tetrafluoropropyl)acetamide is sourced from PubChem (CID 102562915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).