1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol

C11H11BrF4O2 — CID 79660455

IUPAC1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESCCOc1ccc(Br)cc1C(O)C(F)(F)C(F)F
InChIInChI=1S/C11H11BrF4O2/c1-2-18-8-4-3-6(12)5-7(8)9(17)11(15,16)10(13)14/h3-5,9-10,17H,2H2,1H3
InChIKeyOZKGRDZVBQQXQN-UHFFFAOYSA-N
MW331.10 g/mol
LogP3.78
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol

1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol (PubChem CID 79660455) has the molecular formula C11H11BrF4O2 and a molecular weight of 331.10 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol
PubChem CID79660455
Molecular FormulaC11H11BrF4O2
Molecular Weight331.10 g/mol
Exact Mass329.99
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESCCOc1ccc(Br)cc1C(O)C(F)(F)C(F)F
InChIInChI=1S/C11H11BrF4O2/c1-2-18-8-4-3-6(12)5-7(8)9(17)11(15,16)10(13)14/h3-5,9-10,17H,2H2,1H3
InChIKeyOZKGRDZVBQQXQN-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.10
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79644821
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262938
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol
CID 65306945
(1S)-1-(5-bromo-2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171226083
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171262942
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
ethyl 3-(5-bromo-2-methoxyphenyl)-2,2-difluoro-3-hydroxypropanoate
CID 62397967

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol (CID 79660455) is 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol is CCOc1ccc(Br)cc1C(O)C(F)(F)C(F)F.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol?
The InChIKey is OZKGRDZVBQQXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF4O2/c1-2-18-8-4-3-6(12)5-7(8)9(17)11(15,16)10(13)14/h3-5,9-10,17H,2H2,1H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol?
1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol has a molecular weight of 331.10 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-2,2,3,3-tetrafluoropropan-1-ol is sourced from PubChem (CID 79660455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).