(3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C7H11FO2 — CID 167164359

IUPAC(3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2F
InChIInChI=1S/C7H11FO2/c1-4-2-9-7-5(8)3-10-6(4)7/h4-7H,2-3H2,1H3/t4-,5+,6+,7+/m1/s1
InChIKeyGPKPLSNNCXUHMZ-BWBBJGPYSA-N
MW146.16 g/mol
LogP0.76
Rot. Bonds

About (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 167164359) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID167164359
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2F
InChIInChI=1S/C7H11FO2/c1-4-2-9-7-5(8)3-10-6(4)7/h4-7H,2-3H2,1H3/t4-,5+,6+,7+/m1/s1
InChIKeyGPKPLSNNCXUHMZ-BWBBJGPYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 167164359) is (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2F.
What is the InChIKey of (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is GPKPLSNNCXUHMZ-BWBBJGPYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-4-2-9-7-5(8)3-10-6(4)7/h4-7H,2-3H2,1H3/t4-,5+,6+,7+/m1/s1.
What are the key properties of (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 146.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 167164359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).