2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile

C17H15F2NO3 — CID 97243449

IUPAC2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OC[C@@H](O)COCc1ccccc1F
InChIInChI=1S/C17H15F2NO3/c18-15-5-2-1-4-12(15)9-22-10-13(21)11-23-17-7-3-6-16(19)14(17)8-20/h1-7,13,21H,9-11H2/t13-/m0/s1
InChIKeyUAAPVXXKXMWZCW-ZDUSSCGKSA-N
MW319.31 g/mol
LogP2.79
Rot. Bonds7

About 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile

2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile (PubChem CID 97243449) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
PubChem CID97243449
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
SMILESN#Cc1c(F)cccc1OC[C@@H](O)COCc1ccccc1F
InChIInChI=1S/C17H15F2NO3/c18-15-5-2-1-4-12(15)9-22-10-13(21)11-23-17-7-3-6-16(19)14(17)8-20/h1-7,13,21H,9-11H2/t13-/m0/s1
InChIKeyUAAPVXXKXMWZCW-ZDUSSCGKSA-N
XLogP2.79
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile
CID 97243450
1-(2-fluoro-6-methoxyphenoxy)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 109416030
2-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-6-fluorobenzonitrile
CID 109416148
1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 110017824
1-[(2-fluorophenyl)methoxy]-3-(2-methoxy-4-methylphenoxy)propan-2-ol
CID 109414144
2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile
CID 62266985
1-[(2-chlorophenyl)methoxy]-3-(2-fluoro-6-methoxyphenoxy)propan-2-ol
CID 109416037
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
4-[3-(2,3-difluorophenoxy)-2-hydroxypropoxy]benzonitrile
CID 84590436
1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol
CID 109415518
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
1-[(2-fluorophenyl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632244

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile (CID 97243449) is 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile is N#Cc1c(F)cccc1OC[C@@H](O)COCc1ccccc1F.
What is the InChIKey of 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile?
The InChIKey is UAAPVXXKXMWZCW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15F2NO3/c18-15-5-2-1-4-12(15)9-22-10-13(21)11-23-17-7-3-6-16(19)14(17)8-20/h1-7,13,21H,9-11H2/t13-/m0/s1.
What are the key properties of 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile?
2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile has a molecular weight of 319.31 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropoxy]benzonitrile is sourced from PubChem (CID 97243449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).