(3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan

C7H10F2O2 — CID 167164526

IUPAC(3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESC[C@H]1CO[C@@H]2[C@H]1OCC2(F)F
InChIInChI=1S/C7H10F2O2/c1-4-2-10-6-5(4)11-3-7(6,8)9/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyKYMISCAPJRFEIU-HCWXCVPCSA-N
MW164.15 g/mol
LogP1.06
Rot. Bonds

About (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan

(3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 167164526) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
PubChem CID167164526
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name(3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESC[C@H]1CO[C@@H]2[C@H]1OCC2(F)F
InChIInChI=1S/C7H10F2O2/c1-4-2-10-6-5(4)11-3-7(6,8)9/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyKYMISCAPJRFEIU-HCWXCVPCSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan with MolForge

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Related Compounds

(3R,3aR,6S,6aR)-6-(difluoromethyl)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58208586
(3R,3aR,6R,6aR)-6-(difluoromethyl)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58208594
(3R,3aR,6S,6aS)-6-bromo-3-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58208613
6-Fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90140592
6-(Difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 123528443
(3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan
CID 143900803
(3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 167164359
(3R,3aR,6S,6aS)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 167164361
(3S,3aR,6aS)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164362
(3R,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164366
(3R,3aR,6aS)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164367
(3S,3aS)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164405

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (CID 167164526) is (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is C[C@H]1CO[C@@H]2[C@H]1OCC2(F)F.
What is the InChIKey of (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is KYMISCAPJRFEIU-HCWXCVPCSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-4-2-10-6-5(4)11-3-7(6,8)9/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1.
What are the key properties of (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
(3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 164.15 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 167164526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).