1-(2,4-difluorophenoxy)propan-2-amine

C9H11F2NO — CID 16789030

IUPAC1-(2,4-difluorophenoxy)propan-2-amine
SMILESCC(N)COc1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyKWCXWMIRJGOFBM-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.69
Rot. Bonds3

About 1-(2,4-difluorophenoxy)propan-2-amine

1-(2,4-difluorophenoxy)propan-2-amine (PubChem CID 16789030) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2,4-difluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenoxy)propan-2-amine
PubChem CID16789030
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2,4-difluorophenoxy)propan-2-amine
SMILESCC(N)COc1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyKWCXWMIRJGOFBM-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenoxy)propan-2-amine?
The IUPAC name of 1-(2,4-difluorophenoxy)propan-2-amine (CID 16789030) is 1-(2,4-difluorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenoxy)propan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenoxy)propan-2-amine is CC(N)COc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenoxy)propan-2-amine?
The InChIKey is KWCXWMIRJGOFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6H,5,12H2,1H3.
What are the key properties of 1-(2,4-difluorophenoxy)propan-2-amine?
1-(2,4-difluorophenoxy)propan-2-amine has a molecular weight of 187.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenoxy)propan-2-amine is sourced from PubChem (CID 16789030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).