5-(2,4-difluoroanilino)pentanenitrile

C11H12F2N2 — CID 60679330

IUPAC5-(2,4-difluoroanilino)pentanenitrile
SMILESN#CCCCCNc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2/c12-9-4-5-11(10(13)8-9)15-7-3-1-2-6-14/h4-5,8,15H,1-3,7H2
InChIKeyMCJHPESFSYDZPM-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.07
Rot. Bonds5

About 5-(2,4-difluoroanilino)pentanenitrile

5-(2,4-difluoroanilino)pentanenitrile (PubChem CID 60679330) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)pentanenitrile.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)pentanenitrile
PubChem CID60679330
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-(2,4-difluoroanilino)pentanenitrile
SMILESN#CCCCCNc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2/c12-9-4-5-11(10(13)8-9)15-7-3-1-2-6-14/h4-5,8,15H,1-3,7H2
InChIKeyMCJHPESFSYDZPM-UHFFFAOYSA-N
XLogP3.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
2,4-difluoro-N-nonylaniline
CID 43129325
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
5-(2,4-dimethylanilino)pentanenitrile
CID 60679541
5-(2,4-difluoroanilino)pentan-2-one
CID 115236220
5-(4-cyanobutylamino)-2-fluorobenzonitrile
CID 62316279
1-(2-cyanoethyl)-3-(2,4-difluorophenyl)urea
CID 60676650
5-(2,4-difluorophenoxy)pentanenitrile
CID 60772052
4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile
CID 133302391
4-[2-(2,4-difluorophenyl)ethylamino]butanenitrile
CID 115231929

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)pentanenitrile?
The IUPAC name of 5-(2,4-difluoroanilino)pentanenitrile (CID 60679330) is 5-(2,4-difluoroanilino)pentanenitrile.
What is the SMILES notation for 5-(2,4-difluoroanilino)pentanenitrile?
The canonical SMILES for 5-(2,4-difluoroanilino)pentanenitrile is N#CCCCCNc1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluoroanilino)pentanenitrile?
The InChIKey is MCJHPESFSYDZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2/c12-9-4-5-11(10(13)8-9)15-7-3-1-2-6-14/h4-5,8,15H,1-3,7H2.
What are the key properties of 5-(2,4-difluoroanilino)pentanenitrile?
5-(2,4-difluoroanilino)pentanenitrile has a molecular weight of 210.23 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)pentanenitrile is sourced from PubChem (CID 60679330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).