2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol

C9H9F3O2 — CID 105426357

IUPAC2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(F)cccc1C(F)(F)CO
InChIInChI=1S/C9H9F3O2/c1-14-8-6(9(11,12)5-13)3-2-4-7(8)10/h2-4,13H,5H2,1H3
InChIKeyIIZPFFQEPVVNSS-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.92
Rot. Bonds3

About 2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol

2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol (PubChem CID 105426357) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol
PubChem CID105426357
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(F)cccc1C(F)(F)CO
InChIInChI=1S/C9H9F3O2/c1-14-8-6(9(11,12)5-13)3-2-4-7(8)10/h2-4,13H,5H2,1H3
InChIKeyIIZPFFQEPVVNSS-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-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
CID 84711385
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
4-(3-fluoro-2-methoxyphenyl)-4-methylpent-2-enoic acid
CID 71418000
(E)-4-(3-fluoro-2-methoxyphenyl)-4-methylpent-2-enoic acid
CID 124514676
2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 105426244
2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol
CID 138750754
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 131076413
2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328985
2-(2,3-dichlorophenyl)-2,2-difluoroethanol
CID 130135852
bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
2-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117409979

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol (CID 105426357) is 2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol is COc1c(F)cccc1C(F)(F)CO.
What is the InChIKey of 2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is IIZPFFQEPVVNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-14-8-6(9(11,12)5-13)3-2-4-7(8)10/h2-4,13H,5H2,1H3.
What are the key properties of 2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol?
2,2-difluoro-2-(3-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-(3-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 105426357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).