2,5-dimethyl-4-(trifluoromethyl)phenol

C9H9F3O — CID 121432589

IUPAC2,5-dimethyl-4-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)c(C)cc1O
InChIInChI=1S/C9H9F3O/c1-5-4-8(13)6(2)3-7(5)9(10,11)12/h3-4,13H,1-2H3
InChIKeyQHQCPKPQLWGMQW-UHFFFAOYSA-N
MW190.16 g/mol
LogP3.03
Rot. Bonds

About 2,5-dimethyl-4-(trifluoromethyl)phenol

2,5-dimethyl-4-(trifluoromethyl)phenol (PubChem CID 121432589) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 2,5-dimethyl-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-(trifluoromethyl)phenol
PubChem CID121432589
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name2,5-dimethyl-4-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)c(C)cc1O
InChIInChI=1S/C9H9F3O/c1-5-4-8(13)6(2)3-7(5)9(10,11)12/h3-4,13H,1-2H3
InChIKeyQHQCPKPQLWGMQW-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

2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 118535521
5-[1,1,1,3,3,3-hexafluoro-2-[5-hydroxy-4-methyl-2-(trifluoromethyl)phenyl]propan-2-yl]-2-methyl-4-(trifluoromethyl)phenol
CID 134165364
5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437
1-[5-hydroxy-2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171027201
4-fluoro-2,5-dimethylphenol
CID 22627623
1-[2,4-dimethyl-5-(trifluoromethyl)phenyl]ethanone
CID 131384997
4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol
CID 169256906
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
2-methyl-4-[2-(trifluoromethyl)phenyl]phenol
CID 53219065
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102
1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium
CID 143399375

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)phenol?
The IUPAC name of 2,5-dimethyl-4-(trifluoromethyl)phenol (CID 121432589) is 2,5-dimethyl-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2,5-dimethyl-4-(trifluoromethyl)phenol?
The canonical SMILES for 2,5-dimethyl-4-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)c(C)cc1O.
What is the InChIKey of 2,5-dimethyl-4-(trifluoromethyl)phenol?
The InChIKey is QHQCPKPQLWGMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-5-4-8(13)6(2)3-7(5)9(10,11)12/h3-4,13H,1-2H3.
What are the key properties of 2,5-dimethyl-4-(trifluoromethyl)phenol?
2,5-dimethyl-4-(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 2,5-dimethyl-4-(trifluoromethyl)phenol is sourced from PubChem (CID 121432589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).