3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole

C8H14FNO — CID 171531877

IUPAC3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole
SMILESCC1CC2(F)COCC2N1C
InChIInChI=1S/C8H14FNO/c1-6-3-8(9)5-11-4-7(8)10(6)2/h6-7H,3-5H2,1-2H3
InChIKeyGOKQTYGHPYSRQX-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.82
Rot. Bonds

About 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole

3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole (PubChem CID 171531877) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole.

Molecular Properties

Compound Name3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole
PubChem CID171531877
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole
SMILESCC1CC2(F)COCC2N1C
InChIInChI=1S/C8H14FNO/c1-6-3-8(9)5-11-4-7(8)10(6)2/h6-7H,3-5H2,1-2H3
InChIKeyGOKQTYGHPYSRQX-UHFFFAOYSA-N
XLogP0.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470022
(3aS,6aR)-2-fluoro-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 144826637
3-(Fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 156125538
(2R,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878470
8-(Ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903734
(2R,8R)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 166102836
(2S,8S)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 166489515
3-(Fluoromethyl)-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 167196323
(2R)-8-(ethoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 167226753
(2S,8R)-8-(butoxymethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881165
(2R)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881195
(2S)-2-fluoro-8-(methoxymethyl)-5-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 168881593

Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole?
The IUPAC name of 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole (CID 171531877) is 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole.
What is the SMILES notation for 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole?
The canonical SMILES for 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole is CC1CC2(F)COCC2N1C.
What is the InChIKey of 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole?
The InChIKey is GOKQTYGHPYSRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6-3-8(9)5-11-4-7(8)10(6)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole?
3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole has a molecular weight of 159.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-1,2-dimethyl-3,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole is sourced from PubChem (CID 171531877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).