2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol

C10H11BrF2O — CID 107140096

IUPAC2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol
SMILESCCc1ccc(C(O)C(F)(F)Br)cc1
InChIInChI=1S/C10H11BrF2O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKeyYSLPZXPLBUTPDM-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.27
Rot. Bonds3

About 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol

2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol (PubChem CID 107140096) has the molecular formula C10H11BrF2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol
PubChem CID107140096
Molecular FormulaC10H11BrF2O
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol
SMILESCCc1ccc(C(O)C(F)(F)Br)cc1
InChIInChI=1S/C10H11BrF2O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKeyYSLPZXPLBUTPDM-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516
4-(Trifluoromethyl)benzenemethanol
CID 67684
fenipentol, (S)-
CID 6992754
4-Ethylbenzyl alcohol
CID 13034
1-(4-Bromophenyl)ethanol
CID 95352

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol?
The IUPAC name of 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol (CID 107140096) is 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol is CCc1ccc(C(O)C(F)(F)Br)cc1.
What is the InChIKey of 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol?
The InChIKey is YSLPZXPLBUTPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3.
What are the key properties of 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol?
2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol has a molecular weight of 265.10 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 107140096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).