3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine

C11H15F2NO — CID 84783908

IUPAC3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OCC(F)F)cc1
InChIInChI=1S/C11H15F2NO/c12-11(13)8-15-10-5-3-9(4-6-10)2-1-7-14/h3-6,11H,1-2,7-8,14H2
InChIKeyFDIBYWRCCABBDV-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.22
Rot. Bonds6

About 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine

3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine (PubChem CID 84783908) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
PubChem CID84783908
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OCC(F)F)cc1
InChIInChI=1S/C11H15F2NO/c12-11(13)8-15-10-5-3-9(4-6-10)2-1-7-14/h3-6,11H,1-2,7-8,14H2
InChIKeyFDIBYWRCCABBDV-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine (CID 84783908) is 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine is NCCCc1ccc(OCC(F)F)cc1.
What is the InChIKey of 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine?
The InChIKey is FDIBYWRCCABBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-11(13)8-15-10-5-3-9(4-6-10)2-1-7-14/h3-6,11H,1-2,7-8,14H2.
What are the key properties of 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine?
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 84783908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).