9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene

C16H18F3NO — CID 176909642

IUPAC9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2ccc(C(F)(F)F)cc2)=NC12CCCO2
InChIInChI=1S/C16H18F3NO/c1-14(2)10-13(20-15(14)8-3-9-21-15)11-4-6-12(7-5-11)16(17,18)19/h4-7H,3,8-10H2,1-2H3
InChIKeyBTSYSVOGTCSDCV-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.43
Rot. Bonds1

About 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene

9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909642) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909642
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2ccc(C(F)(F)F)cc2)=NC12CCCO2
InChIInChI=1S/C16H18F3NO/c1-14(2)10-13(20-15(14)8-3-9-21-15)11-4-6-12(7-5-11)16(17,18)19/h4-7H,3,8-10H2,1-2H3
InChIKeyBTSYSVOGTCSDCV-UHFFFAOYSA-N
XLogP4.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909629
7-(4-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909633
7-(3-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909635
2-Ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909624
2,9,9-Trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909626
7-(4-Ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909631
9,9-Dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909638
9,9-Dimethyl-7-(4-pentylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909640
7-(4-Butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909641
9,9-Dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909643
9,9-Dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909648
9,9-Dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909649

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909642) is 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene is CC1(C)CC(c2ccc(C(F)(F)F)cc2)=NC12CCCO2.
What is the InChIKey of 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is BTSYSVOGTCSDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-14(2)10-13(20-15(14)8-3-9-21-15)11-4-6-12(7-5-11)16(17,18)19/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene?
9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 297.32 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).