5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

C8H13F2NO — CID 171731523

IUPAC5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(C(F)F)CC2CNCC2C1
InChIInChI=1S/C8H13F2NO/c9-7(10)8(12)1-5-3-11-4-6(5)2-8/h5-7,11-12H,1-4H2
InChIKeyBFDZPRRQBRUMDO-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.61
Rot. Bonds1

About 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 171731523) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID171731523
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(C(F)F)CC2CNCC2C1
InChIInChI=1S/C8H13F2NO/c9-7(10)8(12)1-5-3-11-4-6(5)2-8/h5-7,11-12H,1-4H2
InChIKeyBFDZPRRQBRUMDO-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 171731523) is 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is OC1(C(F)F)CC2CNCC2C1.
What is the InChIKey of 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is BFDZPRRQBRUMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-7(10)8(12)1-5-3-11-4-6(5)2-8/h5-7,11-12H,1-4H2.
What are the key properties of 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 177.19 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 171731523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).