(3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole

C6H9F2NO — CID 124537402

IUPAC(3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESFC1(F)CO[C@@H]2CNC[C@H]21
InChIInChI=1S/C6H9F2NO/c7-6(8)3-10-5-2-9-1-4(5)6/h4-5,9H,1-3H2/t4-,5-/m1/s1
InChIKeyHXBCFQYRLNCEOF-RFZPGFLSSA-N
MW149.14 g/mol
LogP0.24
Rot. Bonds

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

(3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 124537402) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is (3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID124537402
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name(3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESFC1(F)CO[C@@H]2CNC[C@H]21
InChIInChI=1S/C6H9F2NO/c7-6(8)3-10-5-2-9-1-4(5)6/h4-5,9H,1-3H2/t4-,5-/m1/s1
InChIKeyHXBCFQYRLNCEOF-RFZPGFLSSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 124537402) is (3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole is FC1(F)CO[C@@H]2CNC[C@H]21.
What is the InChIKey of (3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is HXBCFQYRLNCEOF-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)3-10-5-2-9-1-4(5)6/h4-5,9H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
(3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 149.14 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 124537402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).