8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane

C16H21F2NO2 — CID 115362032

IUPAC8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane
SMILESFC(F)Oc1ccccc1C1CNCC2(CCCC2)CO1
InChIInChI=1S/C16H21F2NO2/c17-15(18)21-13-6-2-1-5-12(13)14-9-19-10-16(11-20-14)7-3-4-8-16/h1-2,5-6,14-15,19H,3-4,7-11H2
InChIKeyKPBIJMSWMQBJTH-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.51
Rot. Bonds3

About 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane

8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane (PubChem CID 115362032) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane.

Molecular Properties

Compound Name8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane
PubChem CID115362032
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane
SMILESFC(F)Oc1ccccc1C1CNCC2(CCCC2)CO1
InChIInChI=1S/C16H21F2NO2/c17-15(18)21-13-6-2-1-5-12(13)14-9-19-10-16(11-20-14)7-3-4-8-16/h1-2,5-6,14-15,19H,3-4,7-11H2
InChIKeyKPBIJMSWMQBJTH-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-4-oxa-1-azaspiro[5.5]undecane
CID 62522154
9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 114910393
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991
8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361972
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
N-[2-(difluoromethoxy)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361210
(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one
CID 171188521
(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949764

Frequently Asked Questions

What is the IUPAC name of 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane?
The IUPAC name of 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane (CID 115362032) is 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane.
What is the SMILES notation for 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane?
The canonical SMILES for 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane is FC(F)Oc1ccccc1C1CNCC2(CCCC2)CO1.
What is the InChIKey of 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane?
The InChIKey is KPBIJMSWMQBJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c17-15(18)21-13-6-2-1-5-12(13)14-9-19-10-16(11-20-14)7-3-4-8-16/h1-2,5-6,14-15,19H,3-4,7-11H2.
What are the key properties of 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane?
8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane has a molecular weight of 297.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane is sourced from PubChem (CID 115362032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).