(4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C10H15F3O5 — CID 177496696

IUPAC(4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCO[C@@H]1O[C@H](OCC(F)(F)F)C2OC(C)(C)OC21
InChIInChI=1S/C10H15F3O5/c1-9(2)17-5-6(18-9)8(16-7(5)14-3)15-4-10(11,12)13/h5-8H,4H2,1-3H3/t5?,6?,7-,8+/m1/s1
InChIKeyVCGLCPPXACUGMY-CRYROECRSA-N
MW272.22 g/mol
LogP1.41
Rot. Bonds3

About (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 177496696) has the molecular formula C10H15F3O5 and a molecular weight of 272.22 g/mol. Its IUPAC name is (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID177496696
Molecular FormulaC10H15F3O5
Molecular Weight272.22 g/mol
Exact Mass272.09
IUPAC Name(4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCO[C@@H]1O[C@H](OCC(F)(F)F)C2OC(C)(C)OC21
InChIInChI=1S/C10H15F3O5/c1-9(2)17-5-6(18-9)8(16-7(5)14-3)15-4-10(11,12)13/h5-8H,4H2,1-3H3/t5?,6?,7-,8+/m1/s1
InChIKeyVCGLCPPXACUGMY-CRYROECRSA-N
XLogP1.41
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 177496696) is (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CO[C@@H]1O[C@H](OCC(F)(F)F)C2OC(C)(C)OC21.
What is the InChIKey of (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is VCGLCPPXACUGMY-CRYROECRSA-N. The full InChI is InChI=1S/C10H15F3O5/c1-9(2)17-5-6(18-9)8(16-7(5)14-3)15-4-10(11,12)13/h5-8H,4H2,1-3H3/t5?,6?,7-,8+/m1/s1.
What are the key properties of (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 272.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-6-methoxy-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 177496696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).