4-fluoro-5-methylbenzene-1,2-dicarbonitrile

C9H5FN2 — CID 146962290

IUPAC4-fluoro-5-methylbenzene-1,2-dicarbonitrile
SMILESCc1cc(C#N)c(C#N)cc1F
InChIInChI=1S/C9H5FN2/c1-6-2-7(4-11)8(5-12)3-9(6)10/h2-3H,1H3
InChIKeyAKUXDCSFUCFIAL-UHFFFAOYSA-N
MW160.15 g/mol
LogP1.88
Rot. Bonds

About 4-fluoro-5-methylbenzene-1,2-dicarbonitrile

4-fluoro-5-methylbenzene-1,2-dicarbonitrile (PubChem CID 146962290) has the molecular formula C9H5FN2 and a molecular weight of 160.15 g/mol. Its IUPAC name is 4-fluoro-5-methylbenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-fluoro-5-methylbenzene-1,2-dicarbonitrile
PubChem CID146962290
Molecular FormulaC9H5FN2
Molecular Weight160.15 g/mol
Exact Mass160.04
IUPAC Name4-fluoro-5-methylbenzene-1,2-dicarbonitrile
SMILESCc1cc(C#N)c(C#N)cc1F
InChIInChI=1S/C9H5FN2/c1-6-2-7(4-11)8(5-12)3-9(6)10/h2-3H,1H3
InChIKeyAKUXDCSFUCFIAL-UHFFFAOYSA-N
XLogP1.88
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methylbenzene-1,2-dicarbonitrile?
The IUPAC name of 4-fluoro-5-methylbenzene-1,2-dicarbonitrile (CID 146962290) is 4-fluoro-5-methylbenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-fluoro-5-methylbenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-fluoro-5-methylbenzene-1,2-dicarbonitrile is Cc1cc(C#N)c(C#N)cc1F.
What is the InChIKey of 4-fluoro-5-methylbenzene-1,2-dicarbonitrile?
The InChIKey is AKUXDCSFUCFIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2/c1-6-2-7(4-11)8(5-12)3-9(6)10/h2-3H,1H3.
What are the key properties of 4-fluoro-5-methylbenzene-1,2-dicarbonitrile?
4-fluoro-5-methylbenzene-1,2-dicarbonitrile has a molecular weight of 160.15 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methylbenzene-1,2-dicarbonitrile is sourced from PubChem (CID 146962290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).