3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane

C14H22F4O2 — CID 10424752

IUPAC3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane
SMILESCC1COCC1CC(F)(F)C(F)(F)CC1COCC1C
InChIInChI=1S/C14H22F4O2/c1-9-5-19-7-11(9)3-13(15,16)14(17,18)4-12-8-20-6-10(12)2/h9-12H,3-8H2,1-2H3
InChIKeyATVZYNAKAPVIQA-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.60
Rot. Bonds5

About 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane

3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane (PubChem CID 10424752) has the molecular formula C14H22F4O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane.

Molecular Properties

Compound Name3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane
PubChem CID10424752
Molecular FormulaC14H22F4O2
Molecular Weight298.32 g/mol
Exact Mass298.16
IUPAC Name3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane
SMILESCC1COCC1CC(F)(F)C(F)(F)CC1COCC1C
InChIInChI=1S/C14H22F4O2/c1-9-5-19-7-11(9)3-13(15,16)14(17,18)4-12-8-20-6-10(12)2/h9-12H,3-8H2,1-2H3
InChIKeyATVZYNAKAPVIQA-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octofluorotetra-hydrofuran
CID 169488922
3-(5-Ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
CID 11778000
3-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)-4-methyloxolane
CID 85267668
3-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
3-Methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
CID 101115660
3-Ethyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxolane
CID 89181081
3-Ethyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecyl)oxolane
CID 117878757
2,3-Bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane
CID 146639802
3-(1,1-Difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane
CID 155181956
2-Fluoro-3-heptyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 176396253
3-(Bromomethyl)-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane
CID 9999637
(3S,4R)-3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-4-methyloxolane
CID 10787143

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane?
The IUPAC name of 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane (CID 10424752) is 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane.
What is the SMILES notation for 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane?
The canonical SMILES for 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane is CC1COCC1CC(F)(F)C(F)(F)CC1COCC1C.
What is the InChIKey of 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane?
The InChIKey is ATVZYNAKAPVIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O2/c1-9-5-19-7-11(9)3-13(15,16)14(17,18)4-12-8-20-6-10(12)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane?
3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane has a molecular weight of 298.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane is sourced from PubChem (CID 10424752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).