2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile

C19H20FNO — CID 82137277

IUPAC2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
SMILESCC(C)c1ccc(OCCC(C#N)c2ccccc2F)cc1
InChIInChI=1S/C19H20FNO/c1-14(2)15-7-9-17(10-8-15)22-12-11-16(13-21)18-5-3-4-6-19(18)20/h3-10,14,16H,11-12H2,1-2H3
InChIKeyUZLHTSYFAVMXIL-UHFFFAOYSA-N
MW297.37 g/mol
LogP5.03
Rot. Bonds6

About 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile

2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile (PubChem CID 82137277) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
PubChem CID82137277
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
SMILESCC(C)c1ccc(OCCC(C#N)c2ccccc2F)cc1
InChIInChI=1S/C19H20FNO/c1-14(2)15-7-9-17(10-8-15)22-12-11-16(13-21)18-5-3-4-6-19(18)20/h3-10,14,16H,11-12H2,1-2H3
InChIKeyUZLHTSYFAVMXIL-UHFFFAOYSA-N
XLogP5.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
CID 82137348
5-(4-chlorophenoxy)-2-(2-fluorophenyl)pentanenitrile
CID 82137230
4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile
CID 82137283
2-(2-fluorophenyl)-4-(2,4,5-trimethylphenoxy)butanenitrile
CID 82137279
4-(3,4-difluorophenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137344
4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137294
2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
CID 82137170
2-(3-fluorophenyl)-4-(4-methoxyphenoxy)butanenitrile
CID 82137521
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
3-[3-(4-chlorophenoxy)-1-cyanopropyl]benzonitrile
CID 82137701
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
CID 82137676
3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile
CID 82139412

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile?
The IUPAC name of 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile (CID 82137277) is 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile?
The canonical SMILES for 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile is CC(C)c1ccc(OCCC(C#N)c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile?
The InChIKey is UZLHTSYFAVMXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c1-14(2)15-7-9-17(10-8-15)22-12-11-16(13-21)18-5-3-4-6-19(18)20/h3-10,14,16H,11-12H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile?
2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile has a molecular weight of 297.37 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile is sourced from PubChem (CID 82137277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).