2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane

C12H16F8O2 — CID 89321894

IUPAC2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane
SMILESCOC1(C(C)(F)C(F)(F)F)CC(C)C(C(C)(F)C(F)(F)F)O1
InChIInChI=1S/C12H16F8O2/c1-6-5-10(21-4,9(3,14)12(18,19)20)22-7(6)8(2,13)11(15,16)17/h6-7H,5H2,1-4H3
InChIKeyNHRVZZNHBCXRFE-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.34
Rot. Bonds3

About 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane

2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane (PubChem CID 89321894) has the molecular formula C12H16F8O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane.

Molecular Properties

Compound Name2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane
PubChem CID89321894
Molecular FormulaC12H16F8O2
Molecular Weight344.24 g/mol
Exact Mass344.10
IUPAC Name2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane
SMILESCOC1(C(C)(F)C(F)(F)F)CC(C)C(C(C)(F)C(F)(F)F)O1
InChIInChI=1S/C12H16F8O2/c1-6-5-10(21-4,9(3,14)12(18,19)20)22-7(6)8(2,13)11(15,16)17/h6-7H,5H2,1-4H3
InChIKeyNHRVZZNHBCXRFE-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane?
The IUPAC name of 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane (CID 89321894) is 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane.
What is the SMILES notation for 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane?
The canonical SMILES for 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane is COC1(C(C)(F)C(F)(F)F)CC(C)C(C(C)(F)C(F)(F)F)O1.
What is the InChIKey of 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane?
The InChIKey is NHRVZZNHBCXRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F8O2/c1-6-5-10(21-4,9(3,14)12(18,19)20)22-7(6)8(2,13)11(15,16)17/h6-7H,5H2,1-4H3.
What are the key properties of 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane?
2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane has a molecular weight of 344.24 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-2,5-bis(1,1,1,2-tetrafluoropropan-2-yl)oxolane is sourced from PubChem (CID 89321894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).