8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane

C16H20F3NO — CID 115361991

IUPAC8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
SMILESFC(F)(F)c1ccc(C2CNCC3(CCCC3)CO2)cc1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)13-5-3-12(4-6-13)14-9-20-10-15(11-21-14)7-1-2-8-15/h3-6,14,20H,1-2,7-11H2
InChIKeyWMOBQOJVOYQWGG-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.93
Rot. Bonds1

About 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane

8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane (PubChem CID 115361991) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
PubChem CID115361991
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
SMILESFC(F)(F)c1ccc(C2CNCC3(CCCC3)CO2)cc1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)13-5-3-12(4-6-13)14-9-20-10-15(11-21-14)7-1-2-8-15/h3-6,14,20H,1-2,7-11H2
InChIKeyWMOBQOJVOYQWGG-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361978
9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968917
8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361972
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65104059
8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 114910393
6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane
CID 175706595
5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 43367137

Frequently Asked Questions

What is the IUPAC name of 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane?
The IUPAC name of 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane (CID 115361991) is 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane.
What is the SMILES notation for 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane?
The canonical SMILES for 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane is FC(F)(F)c1ccc(C2CNCC3(CCCC3)CO2)cc1.
What is the InChIKey of 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane?
The InChIKey is WMOBQOJVOYQWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)13-5-3-12(4-6-13)14-9-20-10-15(11-21-14)7-1-2-8-15/h3-6,14,20H,1-2,7-11H2.
What are the key properties of 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane?
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane has a molecular weight of 299.34 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane is sourced from PubChem (CID 115361991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).