5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane

C8H15F2N — CID 160623401

IUPAC5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane
SMILESC.FC1(F)CC2CNCC2C1
InChIInChI=1S/C7H11F2N.CH4/c8-7(9)1-5-3-10-4-6(5)2-7;/h5-6,10H,1-4H2;1H4
InChIKeyRGZISLCKZQVJNS-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.89
Rot. Bonds

About 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane

5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane (PubChem CID 160623401) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane.

Molecular Properties

Compound Name5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane
PubChem CID160623401
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane
SMILESC.FC1(F)CC2CNCC2C1
InChIInChI=1S/C7H11F2N.CH4/c8-7(9)1-5-3-10-4-6(5)2-7;/h5-6,10H,1-4H2;1H4
InChIKeyRGZISLCKZQVJNS-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane?
The IUPAC name of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane (CID 160623401) is 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane.
What is the SMILES notation for 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane?
The canonical SMILES for 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane is C.FC1(F)CC2CNCC2C1.
What is the InChIKey of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane?
The InChIKey is RGZISLCKZQVJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.CH4/c8-7(9)1-5-3-10-4-6(5)2-7;/h5-6,10H,1-4H2;1H4.
What are the key properties of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane?
5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane has a molecular weight of 163.21 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;methane is sourced from PubChem (CID 160623401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).