4-(2-aminopropylamino)-3,5-difluorobenzonitrile

C10H11F2N3 — CID 81293263

IUPAC4-(2-aminopropylamino)-3,5-difluorobenzonitrile
SMILESCC(N)CNc1c(F)cc(C#N)cc1F
InChIInChI=1S/C10H11F2N3/c1-6(14)5-15-10-8(11)2-7(4-13)3-9(10)12/h2-3,6,15H,5,14H2,1H3
InChIKeyOZLBLFWLNDEQEL-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.60
Rot. Bonds3

About 4-(2-aminopropylamino)-3,5-difluorobenzonitrile

4-(2-aminopropylamino)-3,5-difluorobenzonitrile (PubChem CID 81293263) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(2-aminopropylamino)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2-aminopropylamino)-3,5-difluorobenzonitrile
PubChem CID81293263
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name4-(2-aminopropylamino)-3,5-difluorobenzonitrile
SMILESCC(N)CNc1c(F)cc(C#N)cc1F
InChIInChI=1S/C10H11F2N3/c1-6(14)5-15-10-8(11)2-7(4-13)3-9(10)12/h2-3,6,15H,5,14H2,1H3
InChIKeyOZLBLFWLNDEQEL-UHFFFAOYSA-N
XLogP1.60
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethylamino)-3,5-difluorobenzonitrile
CID 81294761
4-[2-[di(propan-2-yl)amino]ethylamino]-3,5-difluorobenzonitrile
CID 52820169
4-(3,3-dimethylbutylamino)-3,5-difluorobenzonitrile
CID 115599015
4-[(1R)-1-aminoethyl]-3,5-difluorobenzonitrile
CID 55292784
3,5-difluoro-4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 133351495
4-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3,5-difluorobenzonitrile
CID 115310173
6-(2-aminopropylamino)pyridazine-4-carbonitrile
CID 131000566
3,5-difluoro-4-[(4-hydroxy-3-methylbutan-2-yl)amino]benzonitrile
CID 113240534
4-[(2,2-dimethylcyclopropyl)methylamino]-3,5-difluorobenzonitrile
CID 113235309
3,5-difluoro-4-(4-methoxybutylamino)benzonitrile
CID 78988381
4-(2-aminopropylamino)-3-chlorobenzonitrile
CID 63732969
3,5-difluoro-4-(4,4,4-trifluorobutylamino)benzonitrile
CID 79040621

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropylamino)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(2-aminopropylamino)-3,5-difluorobenzonitrile (CID 81293263) is 4-(2-aminopropylamino)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(2-aminopropylamino)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(2-aminopropylamino)-3,5-difluorobenzonitrile is CC(N)CNc1c(F)cc(C#N)cc1F.
What is the InChIKey of 4-(2-aminopropylamino)-3,5-difluorobenzonitrile?
The InChIKey is OZLBLFWLNDEQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-6(14)5-15-10-8(11)2-7(4-13)3-9(10)12/h2-3,6,15H,5,14H2,1H3.
What are the key properties of 4-(2-aminopropylamino)-3,5-difluorobenzonitrile?
4-(2-aminopropylamino)-3,5-difluorobenzonitrile has a molecular weight of 211.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropylamino)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81293263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).