4-fluoro-3-methyl-2-(trifluoromethyl)phenol

C8H6F4O — CID 171020836

IUPAC4-fluoro-3-methyl-2-(trifluoromethyl)phenol
SMILESCc1c(F)ccc(O)c1C(F)(F)F
InChIInChI=1S/C8H6F4O/c1-4-5(9)2-3-6(13)7(4)8(10,11)12/h2-3,13H,1H3
InChIKeyJOBFFLFIKAXDLD-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.86
Rot. Bonds

About 4-fluoro-3-methyl-2-(trifluoromethyl)phenol

4-fluoro-3-methyl-2-(trifluoromethyl)phenol (PubChem CID 171020836) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-fluoro-3-methyl-2-(trifluoromethyl)phenol
PubChem CID171020836
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name4-fluoro-3-methyl-2-(trifluoromethyl)phenol
SMILESCc1c(F)ccc(O)c1C(F)(F)F
InChIInChI=1S/C8H6F4O/c1-4-5(9)2-3-6(13)7(4)8(10,11)12/h2-3,13H,1H3
InChIKeyJOBFFLFIKAXDLD-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
CID 143639383
4-methylsulfanyl-2,3-bis(trifluoromethyl)phenol
CID 119008895
4-methoxy-2,3-bis(trifluoromethyl)phenol
CID 22595244
ethane;3-methyl-2-(trifluoromethyl)phenol
CID 171645193
3,6-difluoro-2-methylphenol
CID 66721696
2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol
CID 117280993
2-cyano-N-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetamide
CID 168523936
3-fluoro-2-methyl-4-(2,2,2-trifluoroethyl)phenol
CID 164732401
4-fluoro-2-(1-hydroxycyclopropyl)-3-methylphenol
CID 117279111
3-fluoro-2-methyl-5-(trifluoromethyl)phenol
CID 164891329
4-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 130881753
1,7-dimethyl-6-(trifluoromethyl)indol-5-ol
CID 141170821

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2-(trifluoromethyl)phenol?
The IUPAC name of 4-fluoro-3-methyl-2-(trifluoromethyl)phenol (CID 171020836) is 4-fluoro-3-methyl-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-fluoro-3-methyl-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-fluoro-3-methyl-2-(trifluoromethyl)phenol is Cc1c(F)ccc(O)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-3-methyl-2-(trifluoromethyl)phenol?
The InChIKey is JOBFFLFIKAXDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c1-4-5(9)2-3-6(13)7(4)8(10,11)12/h2-3,13H,1H3.
What are the key properties of 4-fluoro-3-methyl-2-(trifluoromethyl)phenol?
4-fluoro-3-methyl-2-(trifluoromethyl)phenol has a molecular weight of 194.13 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-2-(trifluoromethyl)phenol is sourced from PubChem (CID 171020836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).