3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine

C11H13Cl2F2N3 — CID 153360369

IUPAC3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine
SMILESNc1cc(Cl)c(N2CCC(F)(F)CC2)c(Cl)c1N
InChIInChI=1S/C11H13Cl2F2N3/c12-6-5-7(16)9(17)8(13)10(6)18-3-1-11(14,15)2-4-18/h5H,1-4,16-17H2
InChIKeyBAENBKVCMUDXJK-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.39
Rot. Bonds1

About 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine

3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine (PubChem CID 153360369) has the molecular formula C11H13Cl2F2N3 and a molecular weight of 296.15 g/mol. Its IUPAC name is 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine
PubChem CID153360369
Molecular FormulaC11H13Cl2F2N3
Molecular Weight296.15 g/mol
Exact Mass295.05
IUPAC Name3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine
SMILESNc1cc(Cl)c(N2CCC(F)(F)CC2)c(Cl)c1N
InChIInChI=1S/C11H13Cl2F2N3/c12-6-5-7(16)9(17)8(13)10(6)18-3-1-11(14,15)2-4-18/h5H,1-4,16-17H2
InChIKeyBAENBKVCMUDXJK-UHFFFAOYSA-N
XLogP3.39
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine?
The IUPAC name of 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine (CID 153360369) is 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine?
The canonical SMILES for 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine is Nc1cc(Cl)c(N2CCC(F)(F)CC2)c(Cl)c1N.
What is the InChIKey of 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine?
The InChIKey is BAENBKVCMUDXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F2N3/c12-6-5-7(16)9(17)8(13)10(6)18-3-1-11(14,15)2-4-18/h5H,1-4,16-17H2.
What are the key properties of 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine?
3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine has a molecular weight of 296.15 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4,4-difluoropiperidin-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 153360369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).