(1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol

C16H20FNO2 — CID 170661589

IUPAC(1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1CCc2cc(F)ccc2[C@H]1N1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C16H20FNO2/c17-13-2-3-14-10(5-13)1-4-15(19)16(14)18-6-11-8-20-9-12(11)7-18/h2-3,5,11-12,15-16,19H,1,4,6-9H2/t11-,12+,15-,16-/m1/s1
InChIKeyFSGRHZUVKYKXRY-NOXHYTERSA-N
MW277.34 g/mol
LogP1.75
Rot. Bonds1

About (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol

(1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 170661589) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID170661589
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name(1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1CCc2cc(F)ccc2[C@H]1N1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C16H20FNO2/c17-13-2-3-14-10(5-13)1-4-15(19)16(14)18-6-11-8-20-9-12(11)7-18/h2-3,5,11-12,15-16,19H,1,4,6-9H2/t11-,12+,15-,16-/m1/s1
InChIKeyFSGRHZUVKYKXRY-NOXHYTERSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

(1R)-1-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 163236290
1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 156838062
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 51600890
(10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine
CID 142337194
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
CID 105461969
7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
CID 62737680
(3S,4S)-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 114086353
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 115026714
5-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 156837949
6-fluoro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907576

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol (CID 170661589) is (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@@H]1CCc2cc(F)ccc2[C@H]1N1C[C@H]2COC[C@H]2C1.
What is the InChIKey of (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is FSGRHZUVKYKXRY-NOXHYTERSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-13-2-3-14-10(5-13)1-4-15(19)16(14)18-6-11-8-20-9-12(11)7-18/h2-3,5,11-12,15-16,19H,1,4,6-9H2/t11-,12+,15-,16-/m1/s1.
What are the key properties of (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol?
(1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 277.34 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 170661589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).