2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile

C14H8Cl2FNO — CID 102616082

IUPAC2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C14H8Cl2FNO/c15-12-5-4-10(17)6-9(12)8-19-14-3-1-2-13(16)11(14)7-18/h1-6H,8H2
InChIKeyQOJZDMPOQBCEFR-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.58
Rot. Bonds3

About 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile

2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile (PubChem CID 102616082) has the molecular formula C14H8Cl2FNO and a molecular weight of 296.13 g/mol. Its IUPAC name is 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile
PubChem CID102616082
Molecular FormulaC14H8Cl2FNO
Molecular Weight296.13 g/mol
Exact Mass295.00
IUPAC Name2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C14H8Cl2FNO/c15-12-5-4-10(17)6-9(12)8-19-14-3-1-2-13(16)11(14)7-18/h1-6H,8H2
InChIKeyQOJZDMPOQBCEFR-UHFFFAOYSA-N
XLogP4.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile
CID 114322559
1-chloro-2-[[2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 102616567
4-[(2-chloro-5-fluorophenyl)methoxy]-3-ethoxybenzonitrile
CID 102616079
potassium [2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 102616637
2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
CID 113411841
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
2-chloro-6-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
CID 107905985
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzonitrile
CID 79032659
2-chloro-6-[2-(4-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323689
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
[2-[(2-chloro-5-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
CID 102616648
3-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 102619434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile (CID 102616082) is 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile is N#Cc1c(Cl)cccc1OCc1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile?
The InChIKey is QOJZDMPOQBCEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO/c15-12-5-4-10(17)6-9(12)8-19-14-3-1-2-13(16)11(14)7-18/h1-6H,8H2.
What are the key properties of 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile?
2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile has a molecular weight of 296.13 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 102616082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).