2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol

C9H8F4O — CID 62962605

IUPAC2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)C(F)(F)F)c1
InChIInChI=1S/C9H8F4O/c1-5-2-3-7(10)6(4-5)8(14)9(11,12)13/h2-4,8,14H,1H3
InChIKeyOEPUBQPURMRAEF-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.73
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol

2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol (PubChem CID 62962605) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
PubChem CID62962605
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)C(F)(F)F)c1
InChIInChI=1S/C9H8F4O/c1-5-2-3-7(10)6(4-5)8(14)9(11,12)13/h2-4,8,14H,1H3
InChIKeyOEPUBQPURMRAEF-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol
CID 63891500
2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 131081700
4-bromo-1-(2-fluoro-5-methylphenyl)butane-1,2-diol
CID 171891545
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
(2-fluoro-5-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 62509973
(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 62790310
(2-fluoro-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 62791138
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
(1R,2S)-1-amino-1-(2-fluoro-5-methylphenyl)-3-methylbutan-2-ol
CID 131455693
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol (CID 62962605) is 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol is Cc1ccc(F)c(C(O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol?
The InChIKey is OEPUBQPURMRAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-5-2-3-7(10)6(4-5)8(14)9(11,12)13/h2-4,8,14H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol?
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol has a molecular weight of 208.15 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 62962605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).