6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone

C14H15F2NO2 — CID 155538606

IUPAC6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(F)cc1F)N1CCC2(CCC2)C1
InChIInChI=1S/C14H15F2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2
InChIKeyZSJRVSYCVLTWFI-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.69
Rot. Bonds1

About 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone

6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone (PubChem CID 155538606) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone
PubChem CID155538606
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(F)cc1F)N1CCC2(CCC2)C1
InChIInChI=1S/C14H15F2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2
InChIKeyZSJRVSYCVLTWFI-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone (CID 155538606) is 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone is O=C(c1c(O)cc(F)cc1F)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone?
The InChIKey is ZSJRVSYCVLTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone?
6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone has a molecular weight of 267.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-(2,4-difluoro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 155538606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).