5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile

C15H8F2N2O — CID 103793487

IUPAC5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2ccc(F)c(C#N)c2)c(F)c1
InChIInChI=1S/C15H8F2N2O/c16-13-3-1-11(5-12(13)8-19)9-20-15-4-2-10(7-18)6-14(15)17/h1-6H,9H2
InChIKeySKUUOVOGNLTUAF-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.29
Rot. Bonds3

About 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile

5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile (PubChem CID 103793487) has the molecular formula C15H8F2N2O and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
PubChem CID103793487
Molecular FormulaC15H8F2N2O
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2ccc(F)c(C#N)c2)c(F)c1
InChIInChI=1S/C15H8F2N2O/c16-13-3-1-11(5-12(13)8-19)9-20-15-4-2-10(7-18)6-14(15)17/h1-6H,9H2
InChIKeySKUUOVOGNLTUAF-UHFFFAOYSA-N
XLogP3.29
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorobenzonitrile
CID 107667707
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103758922
4-[[3-tert-butyl-5-[(4-cyano-2-fluorophenoxy)methyl]phenyl]methoxy]-3-fluorobenzonitrile
CID 156508177
2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
CID 107889224
5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758788
5-[(5-chloro-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 114012400
3-fluoro-4-(furan-3-ylmethoxy)benzonitrile
CID 107670468
5-[(4-bromo-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107881454
5-[(2-amino-4-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107878012
2-fluoro-5-[[4-fluoro-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107882495
5-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107882586

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile (CID 103793487) is 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile is N#Cc1ccc(OCc2ccc(F)c(C#N)c2)c(F)c1.
What is the InChIKey of 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile?
The InChIKey is SKUUOVOGNLTUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O/c16-13-3-1-11(5-12(13)8-19)9-20-15-4-2-10(7-18)6-14(15)17/h1-6H,9H2.
What are the key properties of 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile?
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile has a molecular weight of 270.24 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 103793487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).