3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile

C16H11F2NO2 — CID 141436620

IUPAC3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile
SMILESN#Cc1cc(F)cc(Oc2cccc3c2C[C@@H](F)[C@H]3O)c1
InChIInChI=1S/C16H11F2NO2/c17-10-4-9(8-19)5-11(6-10)21-15-3-1-2-12-13(15)7-14(18)16(12)20/h1-6,14,16,20H,7H2/t14-,16+/m1/s1
InChIKeyDAIHGZZMUYDJLV-ZBFHGGJFSA-N
MW287.27 g/mol
LogP3.42
Rot. Bonds2

About 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile

3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile (PubChem CID 141436620) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile
PubChem CID141436620
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile
SMILESN#Cc1cc(F)cc(Oc2cccc3c2C[C@@H](F)[C@H]3O)c1
InChIInChI=1S/C16H11F2NO2/c17-10-4-9(8-19)5-11(6-10)21-15-3-1-2-12-13(15)7-14(18)16(12)20/h1-6,14,16,20H,7H2/t14-,16+/m1/s1
InChIKeyDAIHGZZMUYDJLV-ZBFHGGJFSA-N
XLogP3.42
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile with MolForge

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Related Compounds

Imdatifan
CID 155214362
(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 122506276
2-[(5-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxymethyl]benzonitrile
CID 16324658
3-fluoro-5-(((1R,2S,2aS)-1,2,3,3,4,4-hexafluoro-2a-hydroxy-2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-7-yl)oxy)benzonitrile
CID 155232523
2-(5-Hydroxypentoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492843
(3S)-7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 117946995
(2R,3S)-7-(3-cyano-5-fluorophenoxy)-2-fluoro-3-hydroxy-2,3-dihydro-1H-indene-4-sulfonamide
CID 117947077
3-[[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 117947104
(1R,2S,3S)-7-(3-cyano-5-fluorophenoxy)-1,2-difluoro-3-hydroxy-2,3-dihydro-1H-indene-4-sulfonamide
CID 117947158
(3S)-7-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 130289670
3-Fluoro-5-((3,3,4,4-tetrafluoro-2a-hydroxy-2,2a,3,4-tetrahydrospiro[cyclopenta[cd]indene-1,1'-cyclopropan]-7-yl)oxy)benzonitrile
CID 155214315
3-fluoro-5-((1,3,3,4,4-pentafluoro-2a-hydroxy-1-methyl-2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-7-yl)oxy)benzonitrile
CID 155214321

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?
The IUPAC name of 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile (CID 141436620) is 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?
The canonical SMILES for 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile is N#Cc1cc(F)cc(Oc2cccc3c2C[C@@H](F)[C@H]3O)c1.
What is the InChIKey of 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?
The InChIKey is DAIHGZZMUYDJLV-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H11F2NO2/c17-10-4-9(8-19)5-11(6-10)21-15-3-1-2-12-13(15)7-14(18)16(12)20/h1-6,14,16,20H,7H2/t14-,16+/m1/s1.
What are the key properties of 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?
3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile has a molecular weight of 287.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[(1S,2R)-2-fluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile is sourced from PubChem (CID 141436620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).