8-(difluoromethyl)-6-azaspiro[3.4]octane

C8H13F2N — CID 146155401

IUPAC8-(difluoromethyl)-6-azaspiro[3.4]octane
SMILESFC(F)C1CNCC12CCC2
InChIInChI=1S/C8H13F2N/c9-7(10)6-4-11-5-8(6)2-1-3-8/h6-7,11H,1-5H2
InChIKeyMPQHLIKJBVMKLQ-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.64
Rot. Bonds1

About 8-(difluoromethyl)-6-azaspiro[3.4]octane

8-(difluoromethyl)-6-azaspiro[3.4]octane (PubChem CID 146155401) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 8-(difluoromethyl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name8-(difluoromethyl)-6-azaspiro[3.4]octane
PubChem CID146155401
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name8-(difluoromethyl)-6-azaspiro[3.4]octane
SMILESFC(F)C1CNCC12CCC2
InChIInChI=1S/C8H13F2N/c9-7(10)6-4-11-5-8(6)2-1-3-8/h6-7,11H,1-5H2
InChIKeyMPQHLIKJBVMKLQ-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-6-azaspiro[3.4]octane?
The IUPAC name of 8-(difluoromethyl)-6-azaspiro[3.4]octane (CID 146155401) is 8-(difluoromethyl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 8-(difluoromethyl)-6-azaspiro[3.4]octane?
The canonical SMILES for 8-(difluoromethyl)-6-azaspiro[3.4]octane is FC(F)C1CNCC12CCC2.
What is the InChIKey of 8-(difluoromethyl)-6-azaspiro[3.4]octane?
The InChIKey is MPQHLIKJBVMKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-7(10)6-4-11-5-8(6)2-1-3-8/h6-7,11H,1-5H2.
What are the key properties of 8-(difluoromethyl)-6-azaspiro[3.4]octane?
8-(difluoromethyl)-6-azaspiro[3.4]octane has a molecular weight of 161.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 146155401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).