1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol

C11H13BrF2O2 — CID 107140543

IUPAC1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
SMILESCCOc1ccccc1C(C)(O)C(F)(F)Br
InChIInChI=1S/C11H13BrF2O2/c1-3-16-9-7-5-4-6-8(9)10(2,15)11(12,13)14/h4-7,15H,3H2,1-2H3
InChIKeyCLDXIBLUCKYOSA-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.28
Rot. Bonds4

About 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol

1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol (PubChem CID 107140543) has the molecular formula C11H13BrF2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
PubChem CID107140543
Molecular FormulaC11H13BrF2O2
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
SMILESCCOc1ccccc1C(C)(O)C(F)(F)Br
InChIInChI=1S/C11H13BrF2O2/c1-3-16-9-7-5-4-6-8(9)10(2,15)11(12,13)14/h4-7,15H,3H2,1-2H3
InChIKeyCLDXIBLUCKYOSA-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.28
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

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ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
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4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
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2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549
2-(2,3-diethoxyphenyl)propan-2-ol
CID 174362963
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
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CID 64717616

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol (CID 107140543) is 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol is CCOc1ccccc1C(C)(O)C(F)(F)Br.
What is the InChIKey of 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol?
The InChIKey is CLDXIBLUCKYOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O2/c1-3-16-9-7-5-4-6-8(9)10(2,15)11(12,13)14/h4-7,15H,3H2,1-2H3.
What are the key properties of 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol?
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol has a molecular weight of 295.12 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 107140543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).