4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile

C12H10FNO2 — CID 150804083

IUPAC4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile
SMILESN#CC1CC2(OCC(F)O2)c2ccccc21
InChIInChI=1S/C12H10FNO2/c13-11-7-15-12(16-11)5-8(6-14)9-3-1-2-4-10(9)12/h1-4,8,11H,5,7H2
InChIKeyKGMJTKBXLKJTDI-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.19
Rot. Bonds

About 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile

4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile (PubChem CID 150804083) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile.

Molecular Properties

Compound Name4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile
PubChem CID150804083
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile
SMILESN#CC1CC2(OCC(F)O2)c2ccccc21
InChIInChI=1S/C12H10FNO2/c13-11-7-15-12(16-11)5-8(6-14)9-3-1-2-4-10(9)12/h1-4,8,11H,5,7H2
InChIKeyKGMJTKBXLKJTDI-UHFFFAOYSA-N
XLogP2.19
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyano-6-fluoro-2,3-dihydro-1H-inden-1-yl) ethyl carbonate
CID 69257197
[3-cyano-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl] ethyl carbonate
CID 69257312
(3-cyano-4-fluoro-2,3-dihydro-1H-inden-1-yl) ethyl carbonate
CID 69257791
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile
CID 117942150
7-Fluoro-4-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 134259074
2-[2-[2-Fluoro-2-(fluoromethyl)-4-methyl-1,3-dioxolan-4-yl]phenyl]acetonitrile
CID 140332766
2-[2-(2,2-Difluoro-4-methyl-1,3-dioxolan-4-yl)phenyl]acetonitrile
CID 140332770
4'-Fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 141719161
(3'R,3'aR,7'aS)-6',6'-difluoro-3'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,2'-3,3a,4,5,7,7a-hexahydro-1H-indene]
CID 144301443
2-(1,3-Dioxolan-2-yl)-4-fluorobenzonitrile
CID 146205339
7-Fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 153945584
2-(1,3-Dioxolan-2-yl)-5-fluorobenzonitrile
CID 167061807

Frequently Asked Questions

What is the IUPAC name of 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile?
The IUPAC name of 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile (CID 150804083) is 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile.
What is the SMILES notation for 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile?
The canonical SMILES for 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile is N#CC1CC2(OCC(F)O2)c2ccccc21.
What is the InChIKey of 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile?
The InChIKey is KGMJTKBXLKJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-11-7-15-12(16-11)5-8(6-14)9-3-1-2-4-10(9)12/h1-4,8,11H,5,7H2.
What are the key properties of 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile?
4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile has a molecular weight of 219.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile is sourced from PubChem (CID 150804083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).