1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol

C11H12BrF3O2 — CID 104661035

IUPAC1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol
SMILESCCOc1ccc(C(O)CC(F)(F)F)cc1Br
InChIInChI=1S/C11H12BrF3O2/c1-2-17-10-4-3-7(5-8(10)12)9(16)6-11(13,14)15/h3-5,9,16H,2,6H2,1H3
InChIKeyCPFWHEOJFJKPIM-UHFFFAOYSA-N
MW313.11 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol

1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol (PubChem CID 104661035) has the molecular formula C11H12BrF3O2 and a molecular weight of 313.11 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol
PubChem CID104661035
Molecular FormulaC11H12BrF3O2
Molecular Weight313.11 g/mol
Exact Mass312.00
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol
SMILESCCOc1ccc(C(O)CC(F)(F)F)cc1Br
InChIInChI=1S/C11H12BrF3O2/c1-2-17-10-4-3-7(5-8(10)12)9(16)6-11(13,14)15/h3-5,9,16H,2,6H2,1H3
InChIKeyCPFWHEOJFJKPIM-UHFFFAOYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
2-bromo-4-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1-ethoxybenzene
CID 103310796
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 104661074
1-(3-bromo-4-methoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515338
4-(3-bromo-4-propoxyphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 104658413

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol (CID 104661035) is 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol is CCOc1ccc(C(O)CC(F)(F)F)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is CPFWHEOJFJKPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3O2/c1-2-17-10-4-3-7(5-8(10)12)9(16)6-11(13,14)15/h3-5,9,16H,2,6H2,1H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol?
1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 313.11 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 104661035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).