8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol

C15H27F2NO — CID 144874083

IUPAC8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol
SMILESCC(C)CCCCN1CC(O)CC(C(F)F)C12CC2
InChIInChI=1S/C15H27F2NO/c1-11(2)5-3-4-8-18-10-12(19)9-13(14(16)17)15(18)6-7-15/h11-14,19H,3-10H2,1-2H3
InChIKeyGHKMRTZVJLLABX-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.29
Rot. Bonds6

About 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol

8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol (PubChem CID 144874083) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol.

Molecular Properties

Compound Name8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol
PubChem CID144874083
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC Name8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol
SMILESCC(C)CCCCN1CC(O)CC(C(F)F)C12CC2
InChIInChI=1S/C15H27F2NO/c1-11(2)5-3-4-8-18-10-12(19)9-13(14(16)17)15(18)6-7-15/h11-14,19H,3-10H2,1-2H3
InChIKeyGHKMRTZVJLLABX-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol?
The IUPAC name of 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol (CID 144874083) is 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol.
What is the SMILES notation for 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol?
The canonical SMILES for 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol is CC(C)CCCCN1CC(O)CC(C(F)F)C12CC2.
What is the InChIKey of 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol?
The InChIKey is GHKMRTZVJLLABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-11(2)5-3-4-8-18-10-12(19)9-13(14(16)17)15(18)6-7-15/h11-14,19H,3-10H2,1-2H3.
What are the key properties of 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol?
8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol has a molecular weight of 275.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-4-(5-methylhexyl)-4-azaspiro[2.5]octan-6-ol is sourced from PubChem (CID 144874083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).