1-bromo-3-(3,5-difluorophenoxy)propan-2-ol

C9H9BrF2O2 — CID 112560779

IUPAC1-bromo-3-(3,5-difluorophenoxy)propan-2-ol
SMILESOC(CBr)COc1cc(F)cc(F)c1
InChIInChI=1S/C9H9BrF2O2/c10-4-8(13)5-14-9-2-6(11)1-7(12)3-9/h1-3,8,13H,4-5H2
InChIKeyATFIGCZOFKMYSP-UHFFFAOYSA-N
MW267.07 g/mol
LogP2.10
Rot. Bonds4

About 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol

1-bromo-3-(3,5-difluorophenoxy)propan-2-ol (PubChem CID 112560779) has the molecular formula C9H9BrF2O2 and a molecular weight of 267.07 g/mol. Its IUPAC name is 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-(3,5-difluorophenoxy)propan-2-ol
PubChem CID112560779
Molecular FormulaC9H9BrF2O2
Molecular Weight267.07 g/mol
Exact Mass265.98
IUPAC Name1-bromo-3-(3,5-difluorophenoxy)propan-2-ol
SMILESOC(CBr)COc1cc(F)cc(F)c1
InChIInChI=1S/C9H9BrF2O2/c10-4-8(13)5-14-9-2-6(11)1-7(12)3-9/h1-3,8,13H,4-5H2
InChIKeyATFIGCZOFKMYSP-UHFFFAOYSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
1-[2-(bromomethyl)pentoxy]-3,5-difluorobenzene
CID 65010768
3-amino-4-(3,5-difluorophenoxy)-1-fluorobutan-2-ol
CID 68631534
1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 113317787
1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228810
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
4-(3-bromo-2-hydroxypropoxy)benzonitrile
CID 100978622
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
1-(3-bromo-5-fluorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 75432775
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768
1-bromo-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688899
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol?
The IUPAC name of 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol (CID 112560779) is 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol?
The canonical SMILES for 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol is OC(CBr)COc1cc(F)cc(F)c1.
What is the InChIKey of 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol?
The InChIKey is ATFIGCZOFKMYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O2/c10-4-8(13)5-14-9-2-6(11)1-7(12)3-9/h1-3,8,13H,4-5H2.
What are the key properties of 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol?
1-bromo-3-(3,5-difluorophenoxy)propan-2-ol has a molecular weight of 267.07 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3,5-difluorophenoxy)propan-2-ol is sourced from PubChem (CID 112560779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).