2,3-dimethyl-5-(trifluoromethyl)phenol

C9H9F3O — CID 130769403

IUPAC2,3-dimethyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1C
InChIInChI=1S/C9H9F3O/c1-5-3-7(9(10,11)12)4-8(13)6(5)2/h3-4,13H,1-2H3
InChIKeyUMKCOGMIEDGNLD-UHFFFAOYSA-N
MW190.16 g/mol
LogP3.03
Rot. Bonds

About 2,3-dimethyl-5-(trifluoromethyl)phenol

2,3-dimethyl-5-(trifluoromethyl)phenol (PubChem CID 130769403) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 2,3-dimethyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,3-dimethyl-5-(trifluoromethyl)phenol
PubChem CID130769403
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name2,3-dimethyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1C
InChIInChI=1S/C9H9F3O/c1-5-3-7(9(10,11)12)4-8(13)6(5)2/h3-4,13H,1-2H3
InChIKeyUMKCOGMIEDGNLD-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-methyl-5-(trifluoromethyl)phenol
CID 164891329
1-[3-hydroxy-2-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 171027246
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
2,3-dimethyl-5-(trifluoromethyl)benzaldehyde
CID 162568295
2,6-dimethyl-4-(trifluoromethyl)benzoic acid
CID 58167769
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
2,3-diamino-5-(trifluoromethyl)phenol
CID 142974486
2,6-dimethyl-4-(trifluoromethyl)aniline;methane
CID 160577208
5-(1,1-difluoroethyl)-2-methylphenol
CID 84654331
2-sulfanyl-3,5-bis(trifluoromethyl)phenol
CID 119023054
2-bromo-3-fluoro-5-(trifluoromethyl)phenol
CID 130923632
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)phenol?
The IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)phenol (CID 130769403) is 2,3-dimethyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2,3-dimethyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2,3-dimethyl-5-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(trifluoromethyl)phenol?
The InChIKey is UMKCOGMIEDGNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-5-3-7(9(10,11)12)4-8(13)6(5)2/h3-4,13H,1-2H3.
What are the key properties of 2,3-dimethyl-5-(trifluoromethyl)phenol?
2,3-dimethyl-5-(trifluoromethyl)phenol has a molecular weight of 190.16 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 130769403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).