5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C8H12F3NO — CID 142528095

IUPAC5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESFC(F)(F)CN1CC2CCOC2C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)5-12-3-6-1-2-13-7(6)4-12/h6-7H,1-5H2
InChIKeyPSIHCBYEODJULY-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.27
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 142528095) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID142528095
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESFC(F)(F)CN1CC2CCOC2C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)5-12-3-6-1-2-13-7(6)4-12/h6-7H,1-5H2
InChIKeyPSIHCBYEODJULY-UHFFFAOYSA-N
XLogP1.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

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Related Compounds

(6S,7R,7aS)-6-fluoro-7-(fluoromethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470020
(7S,7aS)-7-ethyl-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470030
(6R,7R,7aS)-6-fluoro-7-(fluoromethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470032
(3aS,6aR)-2-fluoro-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 144826637
3a-fluoro-2,5-dimethyl-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole
CID 176992203
3,3-Difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 55279057
rel-(3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124537402
(3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124537404
(3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124537405
(3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride
CID 131638047
Cis-3,3-Difluorohexahydro-2H-Furo[2,3-C]Pyrrole
CID 145708880
(3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 58095387

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 142528095) is 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is FC(F)(F)CN1CC2CCOC2C1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is PSIHCBYEODJULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)5-12-3-6-1-2-13-7(6)4-12/h6-7H,1-5H2.
What are the key properties of 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 195.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 142528095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).