7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile

C16H9F4NO2 — CID 122506331

IUPAC7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
SMILESN#Cc1ccc(Oc2cc(F)cc(F)c2)c2c1C(O)C(F)(F)C2
InChIInChI=1S/C16H9F4NO2/c17-9-3-10(18)5-11(4-9)23-13-2-1-8(7-21)14-12(13)6-16(19,20)15(14)22/h1-5,15,22H,6H2
InChIKeyVFWAPDLZSGWLMD-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.85
Rot. Bonds2

About 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile

7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile (PubChem CID 122506331) has the molecular formula C16H9F4NO2 and a molecular weight of 323.25 g/mol. Its IUPAC name is 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile.

Molecular Properties

Compound Name7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
PubChem CID122506331
Molecular FormulaC16H9F4NO2
Molecular Weight323.25 g/mol
Exact Mass323.06
IUPAC Name7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
SMILESN#Cc1ccc(Oc2cc(F)cc(F)c2)c2c1C(O)C(F)(F)C2
InChIInChI=1S/C16H9F4NO2/c17-9-3-10(18)5-11(4-9)23-13-2-1-8(7-21)14-12(13)6-16(19,20)15(14)22/h1-5,15,22H,6H2
InChIKeyVFWAPDLZSGWLMD-UHFFFAOYSA-N
XLogP3.85
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
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
2-(4-Hydroxybutoxy)-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493174
(3S)-7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 117946995
3-[[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 117947104
(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
3-fluoro-5-((3,3,4,4-tetrafluoro-2a-hydroxy-2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-7-yl)oxy)benzonitrile
CID 155214331
3-fluoro-5-((3,3,4,4-tetrafluoro-2a-hydroxy-1-methylene-2,2a,3,4-tetrahydro-1H-cyclopenta[cd]inden-7-yl)oxy)benzonitrile
CID 155214338

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile?
The IUPAC name of 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile (CID 122506331) is 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile.
What is the SMILES notation for 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile?
The canonical SMILES for 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile is N#Cc1ccc(Oc2cc(F)cc(F)c2)c2c1C(O)C(F)(F)C2.
What is the InChIKey of 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile?
The InChIKey is VFWAPDLZSGWLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4NO2/c17-9-3-10(18)5-11(4-9)23-13-2-1-8(7-21)14-12(13)6-16(19,20)15(14)22/h1-5,15,22H,6H2.
What are the key properties of 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile?
7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile has a molecular weight of 323.25 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile is sourced from PubChem (CID 122506331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).