4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile

C18H18FNO2 — CID 82137283

IUPAC4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile
SMILESCCOc1ccccc1OCCC(C#N)c1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-2-21-17-9-5-6-10-18(17)22-12-11-14(13-20)15-7-3-4-8-16(15)19/h3-10,14H,2,11-12H2,1H3
InChIKeySJAPQGWEQJWOCU-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.30
Rot. Bonds7

About 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile

4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile (PubChem CID 82137283) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile
PubChem CID82137283
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile
SMILESCCOc1ccccc1OCCC(C#N)c1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-2-21-17-9-5-6-10-18(17)22-12-11-14(13-20)15-7-3-4-8-16(15)19/h3-10,14H,2,11-12H2,1H3
InChIKeySJAPQGWEQJWOCU-UHFFFAOYSA-N
XLogP4.30
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-4-(2,4,5-trimethylphenoxy)butanenitrile
CID 82137279
4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137578
2-(2-fluorophenyl)-4-(4-propan-2-ylphenoxy)butanenitrile
CID 82137277
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
CID 82137676
4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137552
5-(4-chlorophenoxy)-2-(2-fluorophenyl)pentanenitrile
CID 82137230
4-(2,5-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137686
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
3-(2-ethoxyphenoxy)propanenitrile
CID 2345484
4-(3,4-difluorophenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137344
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137685
4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137692

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile?
The IUPAC name of 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile (CID 82137283) is 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile?
The canonical SMILES for 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile is CCOc1ccccc1OCCC(C#N)c1ccccc1F.
What is the InChIKey of 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile?
The InChIKey is SJAPQGWEQJWOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-2-21-17-9-5-6-10-18(17)22-12-11-14(13-20)15-7-3-4-8-16(15)19/h3-10,14H,2,11-12H2,1H3.
What are the key properties of 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile?
4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile has a molecular weight of 299.35 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile is sourced from PubChem (CID 82137283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).