2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane

C9H14F4O2 — CID 91328787

IUPAC2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
SMILESCC(C)C(C)C1(F)OC(F)(F)OC1(C)F
InChIInChI=1S/C9H14F4O2/c1-5(2)6(3)8(11)7(4,10)14-9(12,13)15-8/h5-6H,1-4H3
InChIKeyGKUAGYVQCISSAG-UHFFFAOYSA-N
MW230.20 g/mol
LogP3.23
Rot. Bonds2

About 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane

2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane (PubChem CID 91328787) has the molecular formula C9H14F4O2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
PubChem CID91328787
Molecular FormulaC9H14F4O2
Molecular Weight230.20 g/mol
Exact Mass230.09
IUPAC Name2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane
SMILESCC(C)C(C)C1(F)OC(F)(F)OC1(C)F
InChIInChI=1S/C9H14F4O2/c1-5(2)6(3)8(11)7(4,10)14-9(12,13)15-8/h5-6H,1-4H3
InChIKeyGKUAGYVQCISSAG-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 23553810
2,2,4-Trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane
CID 23553811
2-(Difluoromethylidene)-4-(fluoromethyl)-4,5-dimethyl-5-(1,1,2-trifluoroethyl)-1,3-dioxolane
CID 57983727
2-(Difluoromethyl)-4,5-difluoro-4-(2-methylpropyl)-5-propan-2-yl-2-(trifluoromethyl)-1,3-dioxolane
CID 90138983
2,2,4-Trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane
CID 90715762
2,2,4,5-Tetrafluoro-4-methyl-5-propan-2-yl-1,3-dioxolane
CID 90981327
4,5-Difluoro-4,5-di(propan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 117783684
4,5-Difluoro-4-methyl-5-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 117998147
2-(2,3-Dimethylbutan-2-yl)-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 129082259
4,5-Difluoro-2-(3-fluorobutan-2-yl)-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 134525061
4-Butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane
CID 143715525
4,5-Difluoro-4-methyl-5-(3,3,4,4-tetrafluoropentan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 163778860

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane?
The IUPAC name of 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane (CID 91328787) is 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane is CC(C)C(C)C1(F)OC(F)(F)OC1(C)F.
What is the InChIKey of 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane?
The InChIKey is GKUAGYVQCISSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O2/c1-5(2)6(3)8(11)7(4,10)14-9(12,13)15-8/h5-6H,1-4H3.
What are the key properties of 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane?
2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane has a molecular weight of 230.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetrafluoro-4-methyl-5-(3-methylbutan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 91328787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).