8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

C15H16FNO2 — CID 59030607

IUPAC8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1(c2ccccc2F)CCC2(CC1)OCCO2
InChIInChI=1S/C15H16FNO2/c16-13-4-2-1-3-12(13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4H,5-10H2
InChIKeyDGRYWEXXDUZNOH-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.90
Rot. Bonds1

About 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 59030607) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID59030607
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1(c2ccccc2F)CCC2(CC1)OCCO2
InChIInChI=1S/C15H16FNO2/c16-13-4-2-1-3-12(13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4H,5-10H2
InChIKeyDGRYWEXXDUZNOH-UHFFFAOYSA-N
XLogP2.90
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.5]decane, 8-[4-(3,4-difluorophenyl)-3-cyclohexen-1-yl]-
CID 11559061
[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetonitrile
CID 3100237
8-Phenyl-1,4-dioxaspiro[4,5]decane
CID 10878623
2-Fluoro-7-(2-methoxyethoxymethoxy)-2-phenylheptanenitrile
CID 15474715
4-(1,4-Dioxaspiro[4.5]decan-8-yl)-2,6-difluorobenzonitrile
CID 9970825
4-(1,4-Dioxaspiro[4.5]decan-8-yl)-2-fluorobenzonitrile
CID 10467830
4-(1,3-Dioxolan-2-yl)-2-fluoro-2-phenylbutanenitrile
CID 11139083
8-[(4-Fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
CID 12133951
1,4-Dioxaspiro[4.5]decane-8-carbonitrile, 8-(4-fluorophenyl)-
CID 12230242
8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decane
CID 12834404
8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 15232682
8-(3-Fluoro-4-iodophenyl)-1,4-dioxaspiro[4.5]decane
CID 18787924

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 59030607) is 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is N#CC1(c2ccccc2F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is DGRYWEXXDUZNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-4-2-1-3-12(13)14(11-17)5-7-15(8-6-14)18-9-10-19-15/h1-4H,5-10H2.
What are the key properties of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 261.30 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 59030607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).