(3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole

C8H14FNO3 — CID 70320810

IUPAC(3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole
SMILESCOC1(OC)COC2[C@@H](F)CN[C@@H]21
InChIInChI=1S/C8H14FNO3/c1-11-8(12-2)4-13-6-5(9)3-10-7(6)8/h5-7,10H,3-4H2,1-2H3/t5-,6?,7-/m0/s1
InChIKeyBPILVJWNPLUCAT-LOJRBXKRSA-N
MW191.20 g/mol
LogP-0.32
Rot. Bonds2

About (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole

(3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole (PubChem CID 70320810) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole
PubChem CID70320810
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name(3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole
SMILESCOC1(OC)COC2[C@@H](F)CN[C@@H]21
InChIInChI=1S/C8H14FNO3/c1-11-8(12-2)4-13-6-5(9)3-10-7(6)8/h5-7,10H,3-4H2,1-2H3/t5-,6?,7-/m0/s1
InChIKeyBPILVJWNPLUCAT-LOJRBXKRSA-N
XLogP-0.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine
CID 10773501
(1R)-1-[(3aS,4R,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanol
CID 53852227
(1S)-1-[(3aS,4R,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]-2-fluoroethanol
CID 18643922
(3R,3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
CID 55299444
(3R,3aR,6R,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
CID 55299721
(3aR,6S,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
CID 55300575
(1S)-1-[(3aS,6R,6aS)-4-fluoro-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]-2-fluoroethanol
CID 57193859
(3aS,6S,6aS)-6-Fluoro-3,3-dimethoxy-hexahydro-furo[3,2-b]pyrrole
CID 57551899
(3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-hexahydro-furo[3,2-b]pyrrol-4-ium
CID 59807293
(3R,3aR,6R,6aS)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-4-ium-3-ol
CID 59807355
(3R,3aR,6S)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
CID 68345090
(3R,3aR,6R)-6-fluoro-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-3-ol
CID 68392246

Frequently Asked Questions

What is the IUPAC name of (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole?
The IUPAC name of (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole (CID 70320810) is (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole.
What is the SMILES notation for (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole?
The canonical SMILES for (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole is COC1(OC)COC2[C@@H](F)CN[C@@H]21.
What is the InChIKey of (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole?
The InChIKey is BPILVJWNPLUCAT-LOJRBXKRSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-11-8(12-2)4-13-6-5(9)3-10-7(6)8/h5-7,10H,3-4H2,1-2H3/t5-,6?,7-/m0/s1.
What are the key properties of (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole?
(3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole has a molecular weight of 191.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S)-6-fluoro-3,3-dimethoxy-2,3a,4,5,6,6a-hexahydrofuro[3,2-b]pyrrole is sourced from PubChem (CID 70320810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).