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

C6H8F2O2 — CID 167164413

IUPAC(3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESFC1(F)CO[C@@H]2CCO[C@@H]21
InChIInChI=1S/C6H8F2O2/c7-6(8)3-10-4-1-2-9-5(4)6/h4-5H,1-3H2/t4-,5+/m1/s1
InChIKeyVFCBMKLGAQHZPP-UHNVWZDZSA-N
MW150.12 g/mol
LogP0.81
Rot. Bonds

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

(3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 167164413) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is (3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
PubChem CID167164413
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name(3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESFC1(F)CO[C@@H]2CCO[C@@H]21
InChIInChI=1S/C6H8F2O2/c7-6(8)3-10-4-1-2-9-5(4)6/h4-5H,1-3H2/t4-,5+/m1/s1
InChIKeyVFCBMKLGAQHZPP-UHNVWZDZSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (CID 167164413) is (3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is FC1(F)CO[C@@H]2CCO[C@@H]21.
What is the InChIKey of (3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is VFCBMKLGAQHZPP-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-6(8)3-10-4-1-2-9-5(4)6/h4-5H,1-3H2/t4-,5+/m1/s1.
What are the key properties of (3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
(3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 150.12 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 167164413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).