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

C9H14F2O2 — CID 169322488

IUPAC(3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESCC(C)[C@H]1CO[C@@H]2[C@H]1OCC2(F)F
InChIInChI=1S/C9H14F2O2/c1-5(2)6-3-12-8-7(6)13-4-9(8,10)11/h5-8H,3-4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyBCZOFPQUDATBEV-GJMOJQLCSA-N
MW192.20 g/mol
LogP1.69
Rot. Bonds1

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

(3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 169322488) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is (3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
PubChem CID169322488
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name(3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESCC(C)[C@H]1CO[C@@H]2[C@H]1OCC2(F)F
InChIInChI=1S/C9H14F2O2/c1-5(2)6-3-12-8-7(6)13-4-9(8,10)11/h5-8H,3-4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyBCZOFPQUDATBEV-GJMOJQLCSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (CID 169322488) is (3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is CC(C)[C@H]1CO[C@@H]2[C@H]1OCC2(F)F.
What is the InChIKey of (3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is BCZOFPQUDATBEV-GJMOJQLCSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-5(2)6-3-12-8-7(6)13-4-9(8,10)11/h5-8H,3-4H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
(3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 192.20 g/mol, XLogP of 1.69, 1 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-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 169322488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).