2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile

C15H11ClFNO — CID 2736552

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H11ClFNO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8,10H2
InChIKeyIMYWPHZDFVUXGJ-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.12
Rot. Bonds4

About 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile

2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile (PubChem CID 2736552) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile
PubChem CID2736552
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H11ClFNO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8,10H2
InChIKeyIMYWPHZDFVUXGJ-UHFFFAOYSA-N
XLogP4.12
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile (CID 2736552) is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile is N#CCc1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile?
The InChIKey is IMYWPHZDFVUXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8,10H2.
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile?
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile has a molecular weight of 275.71 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 2736552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).