2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile

C16H14FNO2 — CID 154966368

IUPAC2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
SMILESCC(C)Oc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C16H14FNO2/c1-11(2)19-12-6-8-13(9-7-12)20-16-5-3-4-15(17)14(16)10-18/h3-9,11H,1-2H3
InChIKeyMXISSMLDIAAFQW-UHFFFAOYSA-N
MW271.29 g/mol
LogP4.28
Rot. Bonds4

About 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile

2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile (PubChem CID 154966368) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
PubChem CID154966368
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
SMILESCC(C)Oc1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C16H14FNO2/c1-11(2)19-12-6-8-13(9-7-12)20-16-5-3-4-15(17)14(16)10-18/h3-9,11H,1-2H3
InChIKeyMXISSMLDIAAFQW-UHFFFAOYSA-N
XLogP4.28
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 43609103
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-(difluoromethoxy)-6-fluorobenzonitrile
CID 23448361
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-fluoro-6-(4-methylpentan-2-yloxy)benzonitrile
CID 79512851
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
CID 79512940

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile (CID 154966368) is 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile is CC(C)Oc1ccc(Oc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile?
The InChIKey is MXISSMLDIAAFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-11(2)19-12-6-8-13(9-7-12)20-16-5-3-4-15(17)14(16)10-18/h3-9,11H,1-2H3.
What are the key properties of 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile?
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile has a molecular weight of 271.29 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile is sourced from PubChem (CID 154966368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).