5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine

C8H14F2N2 — CID 20763675

IUPAC5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine
SMILESCN1CC2CC(F)(F)C(N)C2C1
InChIInChI=1S/C8H14F2N2/c1-12-3-5-2-8(9,10)7(11)6(5)4-12/h5-7H,2-4,11H2,1H3
InChIKeyVDFHBUIMOROKPU-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.53
Rot. Bonds

About 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine

5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine (PubChem CID 20763675) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine
PubChem CID20763675
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine
SMILESCN1CC2CC(F)(F)C(N)C2C1
InChIInChI=1S/C8H14F2N2/c1-12-3-5-2-8(9,10)7(11)6(5)4-12/h5-7H,2-4,11H2,1H3
InChIKeyVDFHBUIMOROKPU-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine?
The IUPAC name of 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine (CID 20763675) is 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine?
The canonical SMILES for 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine is CN1CC2CC(F)(F)C(N)C2C1.
What is the InChIKey of 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine?
The InChIKey is VDFHBUIMOROKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-12-3-5-2-8(9,10)7(11)6(5)4-12/h5-7H,2-4,11H2,1H3.
What are the key properties of 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine?
5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine has a molecular weight of 176.21 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 20763675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).