8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol

C16H21F2NO3 — CID 74245813

IUPAC8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1COC2(CCN(Cc3ccc(OC(F)F)cc3)CC2)C1
InChIInChI=1S/C16H21F2NO3/c17-15(18)22-14-3-1-12(2-4-14)10-19-7-5-16(6-8-19)9-13(20)11-21-16/h1-4,13,15,20H,5-11H2
InChIKeyBYZBJXBCOQMTIN-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.40
Rot. Bonds4

About 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol

8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol (PubChem CID 74245813) has the molecular formula C16H21F2NO3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
PubChem CID74245813
Molecular FormulaC16H21F2NO3
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
SMILESOC1COC2(CCN(Cc3ccc(OC(F)F)cc3)CC2)C1
InChIInChI=1S/C16H21F2NO3/c17-15(18)22-14-3-1-12(2-4-14)10-19-7-5-16(6-8-19)9-13(20)11-21-16/h1-4,13,15,20H,5-11H2
InChIKeyBYZBJXBCOQMTIN-UHFFFAOYSA-N
XLogP2.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The IUPAC name of 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol (CID 74245813) is 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol.
What is the SMILES notation for 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The canonical SMILES for 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol is OC1COC2(CCN(Cc3ccc(OC(F)F)cc3)CC2)C1.
What is the InChIKey of 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
The InChIKey is BYZBJXBCOQMTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO3/c17-15(18)22-14-3-1-12(2-4-14)10-19-7-5-16(6-8-19)9-13(20)11-21-16/h1-4,13,15,20H,5-11H2.
What are the key properties of 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol?
8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol has a molecular weight of 313.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(difluoromethoxy)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol is sourced from PubChem (CID 74245813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).