5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile

C15H8ClFN2O — CID 103768202

IUPAC5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(COc2cc(Cl)ccc2C#N)ccc1F
InChIInChI=1S/C15H8ClFN2O/c16-13-3-2-11(7-18)15(6-13)20-9-10-1-4-14(17)12(5-10)8-19/h1-6H,9H2
InChIKeyCJKQVHDETKBODW-UHFFFAOYSA-N
MW286.69 g/mol
LogP3.80
Rot. Bonds3

About 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile

5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile (PubChem CID 103768202) has the molecular formula C15H8ClFN2O and a molecular weight of 286.69 g/mol. Its IUPAC name is 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
PubChem CID103768202
Molecular FormulaC15H8ClFN2O
Molecular Weight286.69 g/mol
Exact Mass286.03
IUPAC Name5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(COc2cc(Cl)ccc2C#N)ccc1F
InChIInChI=1S/C15H8ClFN2O/c16-13-3-2-11(7-18)15(6-13)20-9-10-1-4-14(17)12(5-10)8-19/h1-6H,9H2
InChIKeyCJKQVHDETKBODW-UHFFFAOYSA-N
XLogP3.80
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-chloro-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 114012400
4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
5-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882586
2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
CID 113277305
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 112630475
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzonitrile
CID 114322730
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzonitrile
CID 114322735
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103758922
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
CID 107889224

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile (CID 103768202) is 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile is N#Cc1cc(COc2cc(Cl)ccc2C#N)ccc1F.
What is the InChIKey of 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile?
The InChIKey is CJKQVHDETKBODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN2O/c16-13-3-2-11(7-18)15(6-13)20-9-10-1-4-14(17)12(5-10)8-19/h1-6H,9H2.
What are the key properties of 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile?
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile has a molecular weight of 286.69 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 103768202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).