(5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane

C11H24F2O3 — CID 142299424

IUPAC(5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane
SMILESCC.COC.COC[C@@H]1CC(F)(F)C(C)O1
InChIInChI=1S/C7H12F2O2.C2H6O.C2H6/c1-5-7(8,9)3-6(11-5)4-10-2;1-3-2;1-2/h5-6H,3-4H2,1-2H3;1-2H3;1-2H3/t5?,6-;;/m0../s1
InChIKeyMRRGZKULXWKQCP-ALWJINAOSA-N
MW242.31 g/mol
LogP2.73
Rot. Bonds2

About (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane

(5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane (PubChem CID 142299424) has the molecular formula C11H24F2O3 and a molecular weight of 242.31 g/mol. Its IUPAC name is (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane.

Molecular Properties

Compound Name(5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane
PubChem CID142299424
Molecular FormulaC11H24F2O3
Molecular Weight242.31 g/mol
Exact Mass242.17
IUPAC Name(5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane
SMILESCC.COC.COC[C@@H]1CC(F)(F)C(C)O1
InChIInChI=1S/C7H12F2O2.C2H6O.C2H6/c1-5-7(8,9)3-6(11-5)4-10-2;1-3-2;1-2/h5-6H,3-4H2,1-2H3;1-2H3;1-2H3/t5?,6-;;/m0../s1
InChIKeyMRRGZKULXWKQCP-ALWJINAOSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane?
The IUPAC name of (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane (CID 142299424) is (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane.
What is the SMILES notation for (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane?
The canonical SMILES for (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane is CC.COC.COC[C@@H]1CC(F)(F)C(C)O1.
What is the InChIKey of (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane?
The InChIKey is MRRGZKULXWKQCP-ALWJINAOSA-N. The full InChI is InChI=1S/C7H12F2O2.C2H6O.C2H6/c1-5-7(8,9)3-6(11-5)4-10-2;1-3-2;1-2/h5-6H,3-4H2,1-2H3;1-2H3;1-2H3/t5?,6-;;/m0../s1.
What are the key properties of (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane?
(5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane has a molecular weight of 242.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane is sourced from PubChem (CID 142299424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).