3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile

C14H8Cl2FNO — CID 59451640

IUPAC3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile
SMILESCc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F
InChIInChI=1S/C14H8Cl2FNO/c1-8-2-3-12(16)14(13(8)17)19-11-5-9(7-18)4-10(15)6-11/h2-6H,1H3
InChIKeyZSWXSINGKZZWMW-UHFFFAOYSA-N
MW296.13 g/mol
LogP5.10
Rot. Bonds2

About 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile

3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile (PubChem CID 59451640) has the molecular formula C14H8Cl2FNO and a molecular weight of 296.13 g/mol. Its IUPAC name is 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile
PubChem CID59451640
Molecular FormulaC14H8Cl2FNO
Molecular Weight296.13 g/mol
Exact Mass295.00
IUPAC Name3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile
SMILESCc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F
InChIInChI=1S/C14H8Cl2FNO/c1-8-2-3-12(16)14(13(8)17)19-11-5-9(7-18)4-10(15)6-11/h2-6H,1H3
InChIKeyZSWXSINGKZZWMW-UHFFFAOYSA-N
XLogP5.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.13
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-3-bromo-6-fluoro-5-methylphenoxy)-5-chlorobenzonitrile
CID 86644944
ethyl 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]acetate
CID 66999330
3-chloro-5-[6-chloro-2-fluoro-3-[[5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 69175214
3-chloro-5-[6-chloro-2-fluoro-3-[[5-(4-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 25129004
ethyl 2-[4-chloro-3-(3,5-dicyanophenoxy)-2-fluorophenyl]acetate
CID 66999191
3-chloro-5-[6-chloro-2-fluoro-3-[[5-[5-[hydroxy(oxido)amino]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]methyl]phenoxy]benzonitrile
CID 163591325
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 71589400
CID 89219624
CID 89219624
3-chloro-5-[6-chloro-2-fluoro-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]benzonitrile
CID 25027786
3-[3-bromo-6-(bromomethyl)-2-fluorophenoxy]-5-chlorobenzonitrile
CID 69045756
3-chloro-5-[(5-chloro-2H-benzotriazol-4-yl)oxy]benzonitrile
CID 56833747
3-chloro-5-[6-chloro-3-[[5-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluorophenoxy]benzonitrile
CID 69174673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile?
The IUPAC name of 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile (CID 59451640) is 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile.
What is the SMILES notation for 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile?
The canonical SMILES for 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile is Cc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F.
What is the InChIKey of 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile?
The InChIKey is ZSWXSINGKZZWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO/c1-8-2-3-12(16)14(13(8)17)19-11-5-9(7-18)4-10(15)6-11/h2-6H,1H3.
What are the key properties of 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile?
3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile has a molecular weight of 296.13 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(6-chloro-2-fluoro-3-methylphenoxy)benzonitrile is sourced from PubChem (CID 59451640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).