1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol

C11H12Br2F2O2 — CID 103210074

IUPAC1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br2F2O2/c12-7-1-2-9(13)8(5-7)10(16)3-4-17-6-11(14)15/h1-2,5,10-11,16H,3-4,6H2
InChIKeyQVKLGRZMTNMDSN-UHFFFAOYSA-N
MW374.02 g/mol
LogP3.92
Rot. Bonds6

About 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol

1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol (PubChem CID 103210074) has the molecular formula C11H12Br2F2O2 and a molecular weight of 374.02 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
PubChem CID103210074
Molecular FormulaC11H12Br2F2O2
Molecular Weight374.02 g/mol
Exact Mass371.92
IUPAC Name1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br2F2O2/c12-7-1-2-9(13)8(5-7)10(16)3-4-17-6-11(14)15/h1-2,5,10-11,16H,3-4,6H2
InChIKeyQVKLGRZMTNMDSN-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.02
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103210444
3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
CID 103147844
1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 107477047
1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207036
1-(2,5-dibromophenyl)-3-methylbutan-1-ol
CID 61100587
3-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)propan-1-ol
CID 103147761
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 103147785
1-(3-bromo-5-fluorophenyl)-4-(2,2-difluoroethoxy)butan-2-ol
CID 103147832
3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 103147842
1-bromo-5-[1-bromo-3-(2,2-difluoroethoxy)propyl]-2-fluoro-4-methoxybenzene
CID 103396429

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol?
The IUPAC name of 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol (CID 103210074) is 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol is OC(CCOCC(F)F)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol?
The InChIKey is QVKLGRZMTNMDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2F2O2/c12-7-1-2-9(13)8(5-7)10(16)3-4-17-6-11(14)15/h1-2,5,10-11,16H,3-4,6H2.
What are the key properties of 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol?
1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol has a molecular weight of 374.02 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol is sourced from PubChem (CID 103210074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).