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

C7H11FO2 — CID 143900803

IUPAC(3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESC[C@@]12CCO[C@@H]1[C@@H](F)CO2
InChIInChI=1S/C7H11FO2/c1-7-2-3-9-6(7)5(8)4-10-7/h5-6H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyXPTTXXSOVFJPEZ-RRKCRQDMSA-N
MW146.16 g/mol
LogP0.90
Rot. Bonds

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

(3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 143900803) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan
PubChem CID143900803
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESC[C@@]12CCO[C@@H]1[C@@H](F)CO2
InChIInChI=1S/C7H11FO2/c1-7-2-3-9-6(7)5(8)4-10-7/h5-6H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyXPTTXXSOVFJPEZ-RRKCRQDMSA-N
XLogP0.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan (CID 143900803) is (3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan is C[C@@]12CCO[C@@H]1[C@@H](F)CO2.
What is the InChIKey of (3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is XPTTXXSOVFJPEZ-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H11FO2/c1-7-2-3-9-6(7)5(8)4-10-7/h5-6H,2-4H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of (3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan?
(3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 146.16 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 143900803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).