3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile

C18H9F5N2O4 — CID 122515057

IUPAC3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile
SMILESN#Cc1cc(F)cc(Oc2cnc(C(F)(F)F)c3c2C(=O)C(F)C32OCCO2)c1
InChIInChI=1S/C18H9F5N2O4/c19-9-3-8(6-24)4-10(5-9)29-11-7-25-16(18(21,22)23)13-12(11)14(26)15(20)17(13)27-1-2-28-17/h3-5,7,15H,1-2H2
InChIKeyBBAYZBDZWWZXHB-UHFFFAOYSA-N
MW412.27 g/mol
LogP3.64
Rot. Bonds2

About 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile

3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile (PubChem CID 122515057) has the molecular formula C18H9F5N2O4 and a molecular weight of 412.27 g/mol. Its IUPAC name is 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile
PubChem CID122515057
Molecular FormulaC18H9F5N2O4
Molecular Weight412.27 g/mol
Exact Mass412.05
IUPAC Name3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile
SMILESN#Cc1cc(F)cc(Oc2cnc(C(F)(F)F)c3c2C(=O)C(F)C32OCCO2)c1
InChIInChI=1S/C18H9F5N2O4/c19-9-3-8(6-24)4-10(5-9)29-11-7-25-16(18(21,22)23)13-12(11)14(26)15(20)17(13)27-1-2-28-17/h3-5,7,15H,1-2H2
InChIKeyBBAYZBDZWWZXHB-UHFFFAOYSA-N
XLogP3.64
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile 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'-(3,5-difluorophenoxy)-2'-fluoro-4'-(trifluoromethylsulfanyl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
CID 171619807
3-fluoro-5-[[(6R,7S)-6-fluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]benzonitrile
CID 122515009
3-fluoro-5-[1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-5,6-dihydrocyclopenta[d]pyridazine]-4'-yl]oxybenzonitrile
CID 122515033
3-[(1-bromo-7-oxo-5,6-dihydrocyclopenta[c]pyridin-4-yl)oxy]-5-fluorobenzonitrile
CID 156705570
3-[(4-bromo-6,6,7-trifluoro-5-oxo-7H-cyclopenta[c]pyridin-1-yl)oxy]-5-fluorobenzonitrile
CID 134259352
3-fluoro-5-[[(3R)-2,2,3-trifluoro-1-oxo-7-(trifluoromethyl)-3H-1-benzothiophen-4-yl]oxy]benzonitrile
CID 166980827
3-[[7-[tert-butyl(dimethyl)silyl]oxy-1-methylsulfonyl-5H-cyclopenta[c]pyridin-4-yl]oxy]-5-fluorobenzonitrile
CID 140843345
3-fluoro-5-(4'-iodospiro[1,3-dioxolane-2,5'-6,7-dihydrocyclopenta[d]pyridazine]-1'-yl)oxybenzonitrile
CID 134540104
3-fluoro-5-[(1,2,2,4-tetrafluoro-3,3-dihydroxy-1H-inden-5-yl)oxy]benzonitrile
CID 162518148
2-(1'-bromo-5'-oxospiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl)oxy-5-fluorobenzonitrile
CID 175702791
5-[[5,6-difluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy]pyridine-3-carbonitrile
CID 145152991
3-fluoro-5-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 102818187

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile?
The IUPAC name of 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile (CID 122515057) is 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile.
What is the SMILES notation for 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile?
The canonical SMILES for 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile is N#Cc1cc(F)cc(Oc2cnc(C(F)(F)F)c3c2C(=O)C(F)C32OCCO2)c1.
What is the InChIKey of 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile?
The InChIKey is BBAYZBDZWWZXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F5N2O4/c19-9-3-8(6-24)4-10(5-9)29-11-7-25-16(18(21,22)23)13-12(11)14(26)15(20)17(13)27-1-2-28-17/h3-5,7,15H,1-2H2.
What are the key properties of 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile?
3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile has a molecular weight of 412.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[6'-fluoro-5'-oxo-1'-(trifluoromethyl)spiro[1,3-dioxolane-2,7'-6H-cyclopenta[c]pyridine]-4'-yl]oxybenzonitrile is sourced from PubChem (CID 122515057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).