7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene

C15H18FNO — CID 176909629

IUPAC7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2ccccc2F)=NC12CCCO2
InChIInChI=1S/C15H18FNO/c1-14(2)10-13(11-6-3-4-7-12(11)16)17-15(14)8-5-9-18-15/h3-4,6-7H,5,8-10H2,1-2H3
InChIKeyVGDQECMOSAKMBZ-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.55
Rot. Bonds1

About 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene

7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909629) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909629
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2ccccc2F)=NC12CCCO2
InChIInChI=1S/C15H18FNO/c1-14(2)10-13(11-6-3-4-7-12(11)16)17-15(14)8-5-9-18-15/h3-4,6-7H,5,8-10H2,1-2H3
InChIKeyVGDQECMOSAKMBZ-UHFFFAOYSA-N
XLogP3.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
9,9-Dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909642
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-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909627
7-(4-Chlorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909628
7-(4-Ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909631
7-(3-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909636
7-(2-Chlorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909637
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

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909629) is 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is CC1(C)CC(c2ccccc2F)=NC12CCCO2.
What is the InChIKey of 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is VGDQECMOSAKMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-14(2)10-13(11-6-3-4-7-12(11)16)17-15(14)8-5-9-18-15/h3-4,6-7H,5,8-10H2,1-2H3.
What are the key properties of 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 247.31 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).