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

C6H10ClF2NO — CID 131638047

IUPAC(3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride
SMILESCl.FC1(F)CO[C@H]2CNC[C@H]21
InChIInChI=1S/C6H9F2NO.ClH/c7-6(8)3-10-5-2-9-1-4(5)6;/h4-5,9H,1-3H2;1H/t4-,5+;/m1./s1
InChIKeyHGSSADDQUHBKPU-JBUOLDKXSA-N
MW185.60 g/mol
LogP0.66
Rot. Bonds

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

(3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride (PubChem CID 131638047) has the molecular formula C6H10ClF2NO and a molecular weight of 185.60 g/mol. Its IUPAC name is (3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride.

Molecular Properties

Compound Name(3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride
PubChem CID131638047
Molecular FormulaC6H10ClF2NO
Molecular Weight185.60 g/mol
Exact Mass185.04
IUPAC Name(3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride
SMILESCl.FC1(F)CO[C@H]2CNC[C@H]21
InChIInChI=1S/C6H9F2NO.ClH/c7-6(8)3-10-5-2-9-1-4(5)6;/h4-5,9H,1-3H2;1H/t4-,5+;/m1./s1
InChIKeyHGSSADDQUHBKPU-JBUOLDKXSA-N
XLogP0.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.60
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride?
The IUPAC name of (3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride (CID 131638047) is (3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride.
What is the SMILES notation for (3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride?
The canonical SMILES for (3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride is Cl.FC1(F)CO[C@H]2CNC[C@H]21.
What is the InChIKey of (3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride?
The InChIKey is HGSSADDQUHBKPU-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H9F2NO.ClH/c7-6(8)3-10-5-2-9-1-4(5)6;/h4-5,9H,1-3H2;1H/t4-,5+;/m1./s1.
What are the key properties of (3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride?
(3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride has a molecular weight of 185.60 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3,3-difluoro-2,3a,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole;hydrochloride is sourced from PubChem (CID 131638047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).