(3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

C13H18F2O5 — CID 101217216

IUPAC(3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)C(=C(F)F)[C@H]2O1
InChIInChI=1S/C13H18F2O5/c1-12(2)16-5-6(18-12)8-7(10(14)15)9-11(17-8)20-13(3,4)19-9/h6,8-9,11H,5H2,1-4H3/t6-,8-,9-,11-/m1/s1
InChIKeySUYWCYJECRVFIB-PNHWDRBUSA-N
MW292.28 g/mol
LogP2.16
Rot. Bonds1

About (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

(3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (PubChem CID 101217216) has the molecular formula C13H18F2O5 and a molecular weight of 292.28 g/mol. Its IUPAC name is (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
PubChem CID101217216
Molecular FormulaC13H18F2O5
Molecular Weight292.28 g/mol
Exact Mass292.11
IUPAC Name(3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)C(=C(F)F)[C@H]2O1
InChIInChI=1S/C13H18F2O5/c1-12(2)16-5-6(18-12)8-7(10(14)15)9-11(17-8)20-13(3,4)19-9/h6,8-9,11H,5H2,1-4H3/t6-,8-,9-,11-/m1/s1
InChIKeySUYWCYJECRVFIB-PNHWDRBUSA-N
XLogP2.16
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (CID 101217216) is (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)C(=C(F)F)[C@H]2O1.
What is the InChIKey of (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The InChIKey is SUYWCYJECRVFIB-PNHWDRBUSA-N. The full InChI is InChI=1S/C13H18F2O5/c1-12(2)16-5-6(18-12)8-7(10(14)15)9-11(17-8)20-13(3,4)19-9/h6,8-9,11H,5H2,1-4H3/t6-,8-,9-,11-/m1/s1.
What are the key properties of (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
(3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole has a molecular weight of 292.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,6aR)-6-(difluoromethylidene)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 101217216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).