(1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

C11H17F3O6 — CID 132937217

IUPAC(1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESCO[C@]1(C(F)(F)F)[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C11H17F3O6/c1-9(2)19-7-8(20-9)18-6(5(16)4-15)10(7,17-3)11(12,13)14/h5-8,15-16H,4H2,1-3H3/t5-,6-,7+,8-,10-/m1/s1
InChIKeyGIGWHGANYHVWTG-HPFNVAMJSA-N
MW302.25 g/mol
LogP0.16
Rot. Bonds3

About (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

(1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (PubChem CID 132937217) has the molecular formula C11H17F3O6 and a molecular weight of 302.25 g/mol. Its IUPAC name is (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
PubChem CID132937217
Molecular FormulaC11H17F3O6
Molecular Weight302.25 g/mol
Exact Mass302.10
IUPAC Name(1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESCO[C@]1(C(F)(F)F)[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C11H17F3O6/c1-9(2)19-7-8(20-9)18-6(5(16)4-15)10(7,17-3)11(12,13)14/h5-8,15-16H,4H2,1-3H3/t5-,6-,7+,8-,10-/m1/s1
InChIKeyGIGWHGANYHVWTG-HPFNVAMJSA-N
XLogP0.16
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol with MolForge

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Related Compounds

1,2-O-(1-Methylethylidene)hexofuranose
CID 219905
1,2-O-Isopropylidene-alpha-D-glucofuranose
CID 87704
(S)-1-((3AR,5R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol
CID 11806201
1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 2723655
(1R)-1-[(3aR,5S,6S,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 12994366
(1R)-1-[(3aR,5R,6R,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 91334683
(3aR,5S,6R,6aR)-5-[(1S)-2-fluoro-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 134986159
(3aR,5R,6R,6aR)-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 135055123
(4R,6R)-5,5-difluoro-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol
CID 146169015
1,2-O-(1-Methylethylidene)-alpha-D-allofuranose
CID 10911063
(R)-1-((3AR,5S,6AR)-2,2-Dimethyltetrahydrofuro[2,3-D][1,3]dioxol-5-YL)ethane-1,2-diol
CID 11084935
(3aR,5R,6S,6aR)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11148395

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (CID 132937217) is (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is CO[C@]1(C(F)(F)F)[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The InChIKey is GIGWHGANYHVWTG-HPFNVAMJSA-N. The full InChI is InChI=1S/C11H17F3O6/c1-9(2)19-7-8(20-9)18-6(5(16)4-15)10(7,17-3)11(12,13)14/h5-8,15-16H,4H2,1-3H3/t5-,6-,7+,8-,10-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
(1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol has a molecular weight of 302.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-6-(trifluoromethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 132937217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).