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

C6H9F2NO — CID 124537405

IUPAC(3aS,6aR)-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-/m0/s1
InChIKeyHXBCFQYRLNCEOF-WHFBIAKZSA-N
MW149.14 g/mol
LogP0.24
Rot. Bonds

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

(3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 124537405) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is (3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID124537405
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name(3aS,6aR)-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-/m0/s1
InChIKeyHXBCFQYRLNCEOF-WHFBIAKZSA-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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 124537405) is (3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (3aS,6aR)-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 (3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is HXBCFQYRLNCEOF-WHFBIAKZSA-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-/m0/s1.
What are the key properties of (3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
(3aS,6aR)-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 (3aS,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 124537405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).