2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol

C9H9F3O2 — CID 105426244

IUPAC2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1cc(F)ccc1C(F)(F)CO
InChIInChI=1S/C9H9F3O2/c1-14-8-4-6(10)2-3-7(8)9(11,12)5-13/h2-4,13H,5H2,1H3
InChIKeyIEZJQMCZQHISKM-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.92
Rot. Bonds3

About 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol

2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol (PubChem CID 105426244) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol
PubChem CID105426244
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1cc(F)ccc1C(F)(F)CO
InChIInChI=1S/C9H9F3O2/c1-14-8-4-6(10)2-3-7(8)9(11,12)5-13/h2-4,13H,5H2,1H3
InChIKeyIEZJQMCZQHISKM-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 55273470
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol
CID 116841207
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
CID 116861530
4-fluoro-1-methoxy-2-[(2-methylpropan-2-yl)oxy]benzene
CID 53484257
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
(2S)-2-(4-fluoro-2-methoxyphenyl)but-3-en-2-amine
CID 131037929
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol (CID 105426244) is 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol is COc1cc(F)ccc1C(F)(F)CO.
What is the InChIKey of 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is IEZJQMCZQHISKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-14-8-4-6(10)2-3-7(8)9(11,12)5-13/h2-4,13H,5H2,1H3.
What are the key properties of 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol?
2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol has a molecular weight of 206.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 105426244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).