3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane

C11H19F3O — CID 58640657

IUPAC3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane
SMILESCCCCCC1OC(C(F)(F)F)C1(C)C
InChIInChI=1S/C11H19F3O/c1-4-5-6-7-8-10(2,3)9(15-8)11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyUZEZEQLFWIFEFR-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.92
Rot. Bonds4

About 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane

3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane (PubChem CID 58640657) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane
PubChem CID58640657
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane
SMILESCCCCCC1OC(C(F)(F)F)C1(C)C
InChIInChI=1S/C11H19F3O/c1-4-5-6-7-8-10(2,3)9(15-8)11(12,13)14/h8-9H,4-7H2,1-3H3
InChIKeyUZEZEQLFWIFEFR-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Butyl-3,3-dimethyloxetane
CID 135050726
2-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
CID 18998992
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275558
7,7-Difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
CID 58275561
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275562
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynonane
CID 58275565
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275566
6,6-Difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane
CID 58275567
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopentane
CID 58275568
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275569
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275571
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275572

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane?
The IUPAC name of 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane (CID 58640657) is 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane.
What is the SMILES notation for 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane?
The canonical SMILES for 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane is CCCCCC1OC(C(F)(F)F)C1(C)C.
What is the InChIKey of 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane?
The InChIKey is UZEZEQLFWIFEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-4-5-6-7-8-10(2,3)9(15-8)11(12,13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane?
3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane has a molecular weight of 224.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-pentyl-4-(trifluoromethyl)oxetane is sourced from PubChem (CID 58640657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).