2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile

C14H8Cl2FN — CID 118818713

IUPAC2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
SMILESN#CCc1c(F)cccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2FN/c15-9-4-5-11(13(16)8-9)10-2-1-3-14(17)12(10)6-7-18/h1-5,8H,6H2
InChIKeySTCBHHXCMWYBSN-UHFFFAOYSA-N
MW280.13 g/mol
LogP4.87
Rot. Bonds2

About 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile

2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile (PubChem CID 118818713) has the molecular formula C14H8Cl2FN and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
PubChem CID118818713
Molecular FormulaC14H8Cl2FN
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC Name2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
SMILESN#CCc1c(F)cccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2FN/c15-9-4-5-11(13(16)8-9)10-2-1-3-14(17)12(10)6-7-18/h1-5,8H,6H2
InChIKeySTCBHHXCMWYBSN-UHFFFAOYSA-N
XLogP4.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile (CID 118818713) is 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile is N#CCc1c(F)cccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile?
The InChIKey is STCBHHXCMWYBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN/c15-9-4-5-11(13(16)8-9)10-2-1-3-14(17)12(10)6-7-18/h1-5,8H,6H2.
What are the key properties of 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile?
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile has a molecular weight of 280.13 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile is sourced from PubChem (CID 118818713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).