2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile

C14H9BrFNO — CID 107928233

IUPAC2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile
SMILESCc1ccc(Oc2cc(F)cc(Br)c2)c(C#N)c1
InChIInChI=1S/C14H9BrFNO/c1-9-2-3-14(10(4-9)8-17)18-13-6-11(15)5-12(16)7-13/h2-7H,1H3
InChIKeyKORBMVCPDVCKEY-UHFFFAOYSA-N
MW306.13 g/mol
LogP4.56
Rot. Bonds2

About 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile

2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile (PubChem CID 107928233) has the molecular formula C14H9BrFNO and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile
PubChem CID107928233
Molecular FormulaC14H9BrFNO
Molecular Weight306.13 g/mol
Exact Mass304.99
IUPAC Name2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile
SMILESCc1ccc(Oc2cc(F)cc(Br)c2)c(C#N)c1
InChIInChI=1S/C14H9BrFNO/c1-9-2-3-14(10(4-9)8-17)18-13-6-11(15)5-12(16)7-13/h2-7H,1H3
InChIKeyKORBMVCPDVCKEY-UHFFFAOYSA-N
XLogP4.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
CID 81331684
5-bromo-2-(3,5-difluorophenoxy)benzonitrile
CID 114891054
4-(3-bromo-5-fluorophenoxy)-2-methylbenzonitrile
CID 81332260
2-(3-bromo-5-fluorophenoxy)-5-methylbenzoic acid
CID 81331429
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
5-methyl-2-(3-methylphenoxy)benzonitrile
CID 107928086
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
2-(3-bromophenoxy)-4-methylbenzonitrile
CID 63511715
2-(2-amino-4-bromophenoxy)-5-methylbenzonitrile
CID 114017421
2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
CID 55232518
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile (CID 107928233) is 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile is Cc1ccc(Oc2cc(F)cc(Br)c2)c(C#N)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile?
The InChIKey is KORBMVCPDVCKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO/c1-9-2-3-14(10(4-9)8-17)18-13-6-11(15)5-12(16)7-13/h2-7H,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile?
2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile has a molecular weight of 306.13 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile is sourced from PubChem (CID 107928233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).