1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine

C11H15BrF2N2 — CID 138669092

IUPAC1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine
SMILESCC(C)NC(C)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H15BrF2N2/c1-6(2)15-7(3)16-11-9(13)4-8(12)5-10(11)14/h4-7,15-16H,1-3H3
InChIKeySCMIFRFOJLQBFC-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.48
Rot. Bonds4

About 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine

1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine (PubChem CID 138669092) has the molecular formula C11H15BrF2N2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine
PubChem CID138669092
Molecular FormulaC11H15BrF2N2
Molecular Weight293.16 g/mol
Exact Mass292.04
IUPAC Name1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine
SMILESCC(C)NC(C)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H15BrF2N2/c1-6(2)15-7(3)16-11-9(13)4-8(12)5-10(11)14/h4-7,15-16H,1-3H3
InChIKeySCMIFRFOJLQBFC-UHFFFAOYSA-N
XLogP3.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine?
The IUPAC name of 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine (CID 138669092) is 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine.
What is the SMILES notation for 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine?
The canonical SMILES for 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine is CC(C)NC(C)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine?
The InChIKey is SCMIFRFOJLQBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2/c1-6(2)15-7(3)16-11-9(13)4-8(12)5-10(11)14/h4-7,15-16H,1-3H3.
What are the key properties of 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine?
1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine has a molecular weight of 293.16 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine is sourced from PubChem (CID 138669092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).