2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol

C10H11BrF2O2 — CID 107140033

IUPAC2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
SMILESCCOc1ccccc1C(O)C(F)(F)Br
InChIInChI=1S/C10H11BrF2O2/c1-2-15-8-6-4-3-5-7(8)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKeyLFSREYRBBQJFAN-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.11
Rot. Bonds4

About 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol

2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol (PubChem CID 107140033) has the molecular formula C10H11BrF2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
PubChem CID107140033
Molecular FormulaC10H11BrF2O2
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
SMILESCCOc1ccccc1C(O)C(F)(F)Br
InChIInChI=1S/C10H11BrF2O2/c1-2-15-8-6-4-3-5-7(8)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKeyLFSREYRBBQJFAN-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62396996
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
2-(2-ethoxyphenyl)-2-fluoroethanol
CID 105425466
(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247121
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
1-(2-butoxyphenyl)-2,2,2-trichloroethanol
CID 119091928

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol?
The IUPAC name of 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol (CID 107140033) is 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol is CCOc1ccccc1C(O)C(F)(F)Br.
What is the InChIKey of 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol?
The InChIKey is LFSREYRBBQJFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O2/c1-2-15-8-6-4-3-5-7(8)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3.
What are the key properties of 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol?
2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol has a molecular weight of 281.10 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 107140033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).