3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane

C9H9F9O — CID 58895069

IUPAC3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane
SMILESCC1(C)COC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c1-5(2)3-19-4(5)6(10,11)7(12,13)8(14,15)9(16,17)18/h4H,3H2,1-2H3
InChIKeyVUJMOFXWNWMPDJ-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.88
Rot. Bonds3

About 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane

3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane (PubChem CID 58895069) has the molecular formula C9H9F9O and a molecular weight of 304.15 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane.

Molecular Properties

Compound Name3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane
PubChem CID58895069
Molecular FormulaC9H9F9O
Molecular Weight304.15 g/mol
Exact Mass304.05
IUPAC Name3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane
SMILESCC1(C)COC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F9O/c1-5(2)3-19-4(5)6(10,11)7(12,13)8(14,15)9(16,17)18/h4H,3H2,1-2H3
InChIKeyVUJMOFXWNWMPDJ-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane?
The IUPAC name of 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane (CID 58895069) is 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane.
What is the SMILES notation for 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane?
The canonical SMILES for 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane is CC1(C)COC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane?
The InChIKey is VUJMOFXWNWMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O/c1-5(2)3-19-4(5)6(10,11)7(12,13)8(14,15)9(16,17)18/h4H,3H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane?
3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane has a molecular weight of 304.15 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane is sourced from PubChem (CID 58895069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).