3-fluoro-2-methyl-5-(trifluoromethyl)phenol

C8H6F4O — CID 164891329

IUPAC3-fluoro-2-methyl-5-(trifluoromethyl)phenol
SMILESCc1c(O)cc(C(F)(F)F)cc1F
InChIInChI=1S/C8H6F4O/c1-4-6(9)2-5(3-7(4)13)8(10,11)12/h2-3,13H,1H3
InChIKeyMGAIUGZQQBWWPY-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.86
Rot. Bonds

About 3-fluoro-2-methyl-5-(trifluoromethyl)phenol

3-fluoro-2-methyl-5-(trifluoromethyl)phenol (PubChem CID 164891329) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-(trifluoromethyl)phenol
PubChem CID164891329
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name3-fluoro-2-methyl-5-(trifluoromethyl)phenol
SMILESCc1c(O)cc(C(F)(F)F)cc1F
InChIInChI=1S/C8H6F4O/c1-4-6(9)2-5(3-7(4)13)8(10,11)12/h2-3,13H,1H3
InChIKeyMGAIUGZQQBWWPY-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

2,3-dimethyl-5-(trifluoromethyl)phenol
CID 130769403
2-bromo-3-fluoro-5-(trifluoromethyl)phenol
CID 130923632
1-[3-hydroxy-2-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 171027246
3,5-difluoro-2-methylphenol
CID 20580699
ethane;3-fluoro-2,5-dimethylphenol
CID 142108626
2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
CID 2778983
1-fluoro-2-methyl-3-nitro-5-(trifluoromethyl)benzene
CID 171030388
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
1-[3-fluoro-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171021413
2,3-diamino-5-(trifluoromethyl)phenol
CID 142974486
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
bis[2,6-difluoro-4-(trifluoromethyl)phenyl]diazene
CID 11406632

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-(trifluoromethyl)phenol?
The IUPAC name of 3-fluoro-2-methyl-5-(trifluoromethyl)phenol (CID 164891329) is 3-fluoro-2-methyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-fluoro-2-methyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-fluoro-2-methyl-5-(trifluoromethyl)phenol is Cc1c(O)cc(C(F)(F)F)cc1F.
What is the InChIKey of 3-fluoro-2-methyl-5-(trifluoromethyl)phenol?
The InChIKey is MGAIUGZQQBWWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c1-4-6(9)2-5(3-7(4)13)8(10,11)12/h2-3,13H,1H3.
What are the key properties of 3-fluoro-2-methyl-5-(trifluoromethyl)phenol?
3-fluoro-2-methyl-5-(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 3-fluoro-2-methyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 164891329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).