6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C7H10F2O2 — CID 123528443

IUPAC6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESFC(F)C1COC2CCOC21
InChIInChI=1S/C7H10F2O2/c8-7(9)4-3-11-5-1-2-10-6(4)5/h4-7H,1-3H2
InChIKeyHGBPOUJIUCKKQQ-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.06
Rot. Bonds1

About 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 123528443) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID123528443
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESFC(F)C1COC2CCOC21
InChIInChI=1S/C7H10F2O2/c8-7(9)4-3-11-5-1-2-10-6(4)5/h4-7H,1-3H2
InChIKeyHGBPOUJIUCKKQQ-UHFFFAOYSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[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)-3-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 58208592
(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
(3S,3aS,6S,6aR)-3-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 141410115
(3R,3aS,6R,6aR)-3-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 141410116
(3S,3aR,6R,6aS)-3-(trifluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 141410117
(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

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 123528443) is 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is FC(F)C1COC2CCOC21.
What is the InChIKey of 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is HGBPOUJIUCKKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-7(9)4-3-11-5-1-2-10-6(4)5/h4-7H,1-3H2.
What are the key properties of 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 164.15 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 123528443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).