5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole

C9H15F2N — CID 58944878

IUPAC5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC1C2CN(C)CC2CC1(F)F
InChIInChI=1S/C9H15F2N/c1-6-8-5-12(2)4-7(8)3-9(6,10)11/h6-8H,3-5H2,1-2H3
InChIKeyGUUZKQQSVLQRIH-UHFFFAOYSA-N
MW175.22 g/mol
LogP1.84
Rot. Bonds

About 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole

5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 58944878) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID58944878
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC1C2CN(C)CC2CC1(F)F
InChIInChI=1S/C9H15F2N/c1-6-8-5-12(2)4-7(8)3-9(6,10)11/h6-8H,3-5H2,1-2H3
InChIKeyGUUZKQQSVLQRIH-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole (CID 58944878) is 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole is CC1C2CN(C)CC2CC1(F)F.
What is the InChIKey of 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is GUUZKQQSVLQRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-6-8-5-12(2)4-7(8)3-9(6,10)11/h6-8H,3-5H2,1-2H3.
What are the key properties of 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole?
5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 175.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 58944878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).