(3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride

C7H12ClF2N — CID 91933766

IUPAC(3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
SMILESCl.FC1(F)C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)1-5-3-10-4-6(5)2-7;/h5-6,10H,1-4H2;1H/t5-,6+;
InChIKeyVDNXSLMZLQNXAC-KNCHESJLSA-N
MW183.63 g/mol
LogP1.67
Rot. Bonds

About (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride

(3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride (PubChem CID 91933766) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride.

Molecular Properties

Compound Name(3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
PubChem CID91933766
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name(3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride
SMILESCl.FC1(F)C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)1-5-3-10-4-6(5)2-7;/h5-6,10H,1-4H2;1H/t5-,6+;
InChIKeyVDNXSLMZLQNXAC-KNCHESJLSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
The IUPAC name of (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride (CID 91933766) is (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride.
What is the SMILES notation for (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
The canonical SMILES for (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride is Cl.FC1(F)C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
The InChIKey is VDNXSLMZLQNXAC-KNCHESJLSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)1-5-3-10-4-6(5)2-7;/h5-6,10H,1-4H2;1H/t5-,6+;.
What are the key properties of (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride?
(3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;hydrochloride is sourced from PubChem (CID 91933766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).