2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile

C18H10F2N2O2 — CID 23736483

IUPAC2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile
SMILESCOc1c(F)c(OC)c2c(c1F)-c1ccccc1C2=C(C#N)C#N
InChIInChI=1S/C18H10F2N2O2/c1-23-17-14-12(9(7-21)8-22)10-5-3-4-6-11(10)13(14)15(19)18(24-2)16(17)20/h3-6H,1-2H3
InChIKeySKMXIWMFOXUZNH-UHFFFAOYSA-N
MW324.29 g/mol
LogP3.81
Rot. Bonds2

About 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile

2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile (PubChem CID 23736483) has the molecular formula C18H10F2N2O2 and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile
PubChem CID23736483
Molecular FormulaC18H10F2N2O2
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC Name2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile
SMILESCOc1c(F)c(OC)c2c(c1F)-c1ccccc1C2=C(C#N)C#N
InChIInChI=1S/C18H10F2N2O2/c1-23-17-14-12(9(7-21)8-22)10-5-3-4-6-11(10)13(14)15(19)18(24-2)16(17)20/h3-6H,1-2H3
InChIKeySKMXIWMFOXUZNH-UHFFFAOYSA-N
XLogP3.81
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile?
The IUPAC name of 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile (CID 23736483) is 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile.
What is the SMILES notation for 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile?
The canonical SMILES for 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile is COc1c(F)c(OC)c2c(c1F)-c1ccccc1C2=C(C#N)C#N.
What is the InChIKey of 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile?
The InChIKey is SKMXIWMFOXUZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2O2/c1-23-17-14-12(9(7-21)8-22)10-5-3-4-6-11(10)13(14)15(19)18(24-2)16(17)20/h3-6H,1-2H3.
What are the key properties of 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile?
2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile has a molecular weight of 324.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-1,3-dimethoxyfluoren-9-ylidene)propanedinitrile is sourced from PubChem (CID 23736483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).