2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine

C10H12BrF2NO — CID 60922179

IUPAC2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine
SMILESNCCc1cc(Br)ccc1OCC(F)F
InChIInChI=1S/C10H12BrF2NO/c11-8-1-2-9(15-6-10(12)13)7(5-8)3-4-14/h1-2,5,10H,3-4,6,14H2
InChIKeyMFKVIZSIQYHYBN-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.59
Rot. Bonds5

About 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine

2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine (PubChem CID 60922179) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine
PubChem CID60922179
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine
SMILESNCCc1cc(Br)ccc1OCC(F)F
InChIInChI=1S/C10H12BrF2NO/c11-8-1-2-9(15-6-10(12)13)7(5-8)3-4-14/h1-2,5,10H,3-4,6,14H2
InChIKeyMFKVIZSIQYHYBN-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine (CID 60922179) is 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine is NCCc1cc(Br)ccc1OCC(F)F.
What is the InChIKey of 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine?
The InChIKey is MFKVIZSIQYHYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c11-8-1-2-9(15-6-10(12)13)7(5-8)3-4-14/h1-2,5,10H,3-4,6,14H2.
What are the key properties of 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine?
2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine has a molecular weight of 280.11 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(2,2-difluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 60922179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).