2-(2-tert-butylphenoxy)-5-fluorobenzonitrile

C17H16FNO — CID 63668027

IUPAC2-(2-tert-butylphenoxy)-5-fluorobenzonitrile
SMILESCC(C)(C)c1ccccc1Oc1ccc(F)cc1C#N
InChIInChI=1S/C17H16FNO/c1-17(2,3)14-6-4-5-7-16(14)20-15-9-8-13(18)10-12(15)11-19/h4-10H,1-3H3
InChIKeyKGMHYKLZPGHPOV-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.79
Rot. Bonds2

About 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile

2-(2-tert-butylphenoxy)-5-fluorobenzonitrile (PubChem CID 63668027) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-5-fluorobenzonitrile
PubChem CID63668027
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name2-(2-tert-butylphenoxy)-5-fluorobenzonitrile
SMILESCC(C)(C)c1ccccc1Oc1ccc(F)cc1C#N
InChIInChI=1S/C17H16FNO/c1-17(2,3)14-6-4-5-7-16(14)20-15-9-8-13(18)10-12(15)11-19/h4-10H,1-3H3
InChIKeyKGMHYKLZPGHPOV-UHFFFAOYSA-N
XLogP4.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-(2-tert-butylphenoxy)benzonitrile
CID 61295995
2-(2-tert-butylphenoxy)-4-methylbenzonitrile
CID 63510539
5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 107928062
3-(2-tert-butylphenoxy)-5-fluorobenzonitrile
CID 102817773
1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314125
5-fluoro-2-(2-nitrophenoxy)benzonitrile
CID 63668372
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
CID 55232518
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
2-(2-tert-butylphenoxy)-6-chlorobenzonitrile
CID 63510707
4-(2-cyano-4-fluorophenoxy)-3,5-dimethylbenzonitrile
CID 65470191
3-(2,4-ditert-butylphenoxy)benzene-1,2-dicarbonitrile
CID 57005555

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile (CID 63668027) is 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile is CC(C)(C)c1ccccc1Oc1ccc(F)cc1C#N.
What is the InChIKey of 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile?
The InChIKey is KGMHYKLZPGHPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-17(2,3)14-6-4-5-7-16(14)20-15-9-8-13(18)10-12(15)11-19/h4-10H,1-3H3.
What are the key properties of 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile?
2-(2-tert-butylphenoxy)-5-fluorobenzonitrile has a molecular weight of 269.32 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 63668027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).