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

C9H15FO2 — CID 169322476

IUPAC(3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2F
InChIInChI=1S/C9H15FO2/c1-5(2)6-3-11-9-7(10)4-12-8(6)9/h5-9H,3-4H2,1-2H3/t6-,7-,8-,9-/m0/s1
InChIKeySCRWCVORJQZADZ-JBDRJPRFSA-N
MW174.21 g/mol
LogP1.39
Rot. Bonds1

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

(3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 169322476) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is (3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID169322476
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name(3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2F
InChIInChI=1S/C9H15FO2/c1-5(2)6-3-11-9-7(10)4-12-8(6)9/h5-9H,3-4H2,1-2H3/t6-,7-,8-,9-/m0/s1
InChIKeySCRWCVORJQZADZ-JBDRJPRFSA-N
XLogP1.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 169322476) is (3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC(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-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is SCRWCVORJQZADZ-JBDRJPRFSA-N. The full InChI is InChI=1S/C9H15FO2/c1-5(2)6-3-11-9-7(10)4-12-8(6)9/h5-9H,3-4H2,1-2H3/t6-,7-,8-,9-/m0/s1.
What are the key properties of (3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 174.21 g/mol, XLogP of 1.39, 1 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-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 169322476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).