3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole

C8H14FNO — CID 176992203

IUPAC3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole
SMILESCC1CC2(F)CN(C)CC2O1
InChIInChI=1S/C8H14FNO/c1-6-3-8(9)5-10(2)4-7(8)11-6/h6-7H,3-5H2,1-2H3
InChIKeyDPMCFJXDCQYCSC-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.82
Rot. Bonds

About 3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole

3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole (PubChem CID 176992203) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole.

Molecular Properties

Compound Name3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole
PubChem CID176992203
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole
SMILESCC1CC2(F)CN(C)CC2O1
InChIInChI=1S/C8H14FNO/c1-6-3-8(9)5-10(2)4-7(8)11-6/h6-7H,3-5H2,1-2H3
InChIKeyDPMCFJXDCQYCSC-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
1-Fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 163889604
2,6-Difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 163889605
7,7-difluoro-8-(propan-2-yloxymethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 163889606
6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163889612
(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)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903974
(2R,8S)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922255
(2R)-2-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922705
6,6-difluoro-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164943188

Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole?
The IUPAC name of 3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole (CID 176992203) is 3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole.
What is the SMILES notation for 3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole?
The canonical SMILES for 3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole is CC1CC2(F)CN(C)CC2O1.
What is the InChIKey of 3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole?
The InChIKey is DPMCFJXDCQYCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6-3-8(9)5-10(2)4-7(8)11-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole?
3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]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-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole is sourced from PubChem (CID 176992203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).