1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol

C9H10BrF2NO2 — CID 66793719

IUPAC1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol
SMILESNCC(O)COc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2NO2/c10-7-1-5(11)2-8(12)9(7)15-4-6(14)3-13/h1-2,6,14H,3-4,13H2
InChIKeyXTSVUYWWXSZBLH-UHFFFAOYSA-N
MW282.08 g/mol
LogP1.43
Rot. Bonds4

About 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol

1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol (PubChem CID 66793719) has the molecular formula C9H10BrF2NO2 and a molecular weight of 282.08 g/mol. Its IUPAC name is 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol
PubChem CID66793719
Molecular FormulaC9H10BrF2NO2
Molecular Weight282.08 g/mol
Exact Mass280.99
IUPAC Name1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol
SMILESNCC(O)COc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2NO2/c10-7-1-5(11)2-8(12)9(7)15-4-6(14)3-13/h1-2,6,14H,3-4,13H2
InChIKeyXTSVUYWWXSZBLH-UHFFFAOYSA-N
XLogP1.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 16642389
1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol
CID 66793809
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
CID 117468296
1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 59761877
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
CID 28602583
1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol
CID 59761721
[(2R)-3-(4-bromo-2,6-difluorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6939021
3-bromo-2-(2,4-dimethylpentoxy)-5-fluoroaniline
CID 114200008
1-(2-bromo-4-fluoro-6-nitrophenoxy)-3-cyclopentylpropan-2-ol
CID 103160498

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol (CID 66793719) is 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol is NCC(O)COc1c(F)cc(F)cc1Br.
What is the InChIKey of 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol?
The InChIKey is XTSVUYWWXSZBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO2/c10-7-1-5(11)2-8(12)9(7)15-4-6(14)3-13/h1-2,6,14H,3-4,13H2.
What are the key properties of 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol?
1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol has a molecular weight of 282.08 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol is sourced from PubChem (CID 66793719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).