3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane

C15H18F12O — CID 91284629

IUPAC3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane
SMILESCC1CC(F)(F)C(C)(C(F)(F)F)C1(F)F.CC1COC(C)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H9F7.C7H9F5O/c1-4-3-6(9,10)5(2,7(4,11)12)8(13,14)15;1-4-3-13-5(2,6(4,8)9)7(10,11)12/h4H,3H2,1-2H3;4H,3H2,1-2H3
InChIKeyGTCSJMWZUIHFQP-UHFFFAOYSA-N
MW442.28 g/mol
LogP6.47
Rot. Bonds

About 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane

3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane (PubChem CID 91284629) has the molecular formula C15H18F12O and a molecular weight of 442.28 g/mol. Its IUPAC name is 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane
PubChem CID91284629
Molecular FormulaC15H18F12O
Molecular Weight442.28 g/mol
Exact Mass442.12
IUPAC Name3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane
SMILESCC1CC(F)(F)C(C)(C(F)(F)F)C1(F)F.CC1COC(C)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H9F7.C7H9F5O/c1-4-3-6(9,10)5(2,7(4,11)12)8(13,14)15;1-4-3-13-5(2,6(4,8)9)7(10,11)12/h4H,3H2,1-2H3;4H,3H2,1-2H3
InChIKeyGTCSJMWZUIHFQP-UHFFFAOYSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.28
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethyl-3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane
CID 57682174
4-Ethyl-3,3-difluoro-2-methyl-2,4-bis(trifluoromethyl)oxolane
CID 57682266
Fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
CID 90992274
[1,1,1-Trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxymethylcyclopentane
CID 118217409

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane?
The IUPAC name of 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane (CID 91284629) is 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane?
The canonical SMILES for 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane is CC1CC(F)(F)C(C)(C(F)(F)F)C1(F)F.CC1COC(C)(C(F)(F)F)C1(F)F.
What is the InChIKey of 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane?
The InChIKey is GTCSJMWZUIHFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7.C7H9F5O/c1-4-3-6(9,10)5(2,7(4,11)12)8(13,14)15;1-4-3-13-5(2,6(4,8)9)7(10,11)12/h4H,3H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane?
3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane has a molecular weight of 442.28 g/mol, XLogP of 6.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane;1,1,3,3-tetrafluoro-2,4-dimethyl-2-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 91284629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).