4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile

C15H12F2N2 — CID 81283762

IUPAC4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile
SMILESCc1ccc(N(C)c2c(F)cc(C#N)cc2F)cc1
InChIInChI=1S/C15H12F2N2/c1-10-3-5-12(6-4-10)19(2)15-13(16)7-11(9-18)8-14(15)17/h3-8H,1-2H3
InChIKeyCOFGCBHDAWLLGB-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.91
Rot. Bonds2

About 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile

4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile (PubChem CID 81283762) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile
PubChem CID81283762
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile
SMILESCc1ccc(N(C)c2c(F)cc(C#N)cc2F)cc1
InChIInChI=1S/C15H12F2N2/c1-10-3-5-12(6-4-10)19(2)15-13(16)7-11(9-18)8-14(15)17/h3-8H,1-2H3
InChIKeyCOFGCBHDAWLLGB-UHFFFAOYSA-N
XLogP3.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile (CID 81283762) is 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile is Cc1ccc(N(C)c2c(F)cc(C#N)cc2F)cc1.
What is the InChIKey of 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile?
The InChIKey is COFGCBHDAWLLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-10-3-5-12(6-4-10)19(2)15-13(16)7-11(9-18)8-14(15)17/h3-8H,1-2H3.
What are the key properties of 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile?
4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile has a molecular weight of 258.27 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,4-dimethylanilino)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81283762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).