2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile

C15H8F3NO — CID 64560102

IUPAC2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H8F3NO/c16-10-3-1-9(2-4-10)15(20)13(8-19)12-6-5-11(17)7-14(12)18/h1-7,13H
InChIKeyBBUBHGFCBKZZDN-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.59
Rot. Bonds3

About 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile

2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile (PubChem CID 64560102) has the molecular formula C15H8F3NO and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile
PubChem CID64560102
Molecular FormulaC15H8F3NO
Molecular Weight275.23 g/mol
Exact Mass275.06
IUPAC Name2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H8F3NO/c16-10-3-1-9(2-4-10)15(20)13(8-19)12-6-5-11(17)7-14(12)18/h1-7,13H
InChIKeyBBUBHGFCBKZZDN-UHFFFAOYSA-N
XLogP3.59
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-3-(4-fluoro-3-methylphenyl)-3-oxopropanenitrile
CID 64560875
3-(3-bromo-5-fluorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64560683
2-(2,4-difluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 64561063
2-(2,4-difluorophenyl)-3-(3-methylphenyl)-3-oxopropanenitrile
CID 64559333
3-(3-bromo-5-chlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 107956540
3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64559524
2-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)-3-oxopropanenitrile
CID 64561068
3-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64558760
3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64560290
2-(2,4-difluorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-3-oxopropanenitrile
CID 102801635
2-(2,4-difluorophenyl)-3-oxononanenitrile
CID 114752877
3-(4-ethylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334247

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile (CID 64560102) is 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile is N#CC(C(=O)c1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile?
The InChIKey is BBUBHGFCBKZZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO/c16-10-3-1-9(2-4-10)15(20)13(8-19)12-6-5-11(17)7-14(12)18/h1-7,13H.
What are the key properties of 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile?
2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile has a molecular weight of 275.23 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 64560102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).