2-(trifluoromethyl)phenol

C14H10F6O2 — CID 162212145

IUPAC2-(trifluoromethyl)phenol
SMILESOc1ccccc1C(F)(F)F.Oc1ccccc1C(F)(F)F
InChIInChI=1S/2C7H5F3O/c2*8-7(9,10)5-3-1-2-4-6(5)11/h2*1-4,11H
InChIKeyZSZKFIBKVLGVKU-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.82
Rot. Bonds

About 2-(trifluoromethyl)phenol

2-(trifluoromethyl)phenol (PubChem CID 162212145) has the molecular formula C14H10F6O2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(trifluoromethyl)phenol
PubChem CID162212145
Molecular FormulaC14H10F6O2
Molecular Weight324.22 g/mol
Exact Mass324.06
IUPAC Name2-(trifluoromethyl)phenol
SMILESOc1ccccc1C(F)(F)F.Oc1ccccc1C(F)(F)F
InChIInChI=1S/2C7H5F3O/c2*8-7(9,10)5-3-1-2-4-6(5)11/h2*1-4,11H
InChIKeyZSZKFIBKVLGVKU-UHFFFAOYSA-N
XLogP4.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(trifluoromethyl)phenol
CID 142291947
cyclopenta-1,3-diene;bis(2-(trifluoromethyl)phenol);zirconium
CID 154426888
2-[chloro(difluoro)methyl]phenol
CID 19981781
2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol
CID 160517438
5-(trifluoromethyl)naphthalen-1-ol
CID 90487530
hydroxy-tris[2-(trifluoromethyl)phenyl]silane
CID 140903404
2-(1,1-difluoro-2,2-dimethylpropyl)phenol
CID 83855896
bis(2-methylcyclopenta-1,3-diene);bis(2-(trifluoromethyl)phenol);zirconium(2+)
CID 22676063
3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol
CID 161256032
bis(1,3-dimethylcyclopenta-1,3-diene);bis(2-(trifluoromethyl)phenol);zirconium(2+)
CID 87777488
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)phenol
CID 154117039

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)phenol?
The IUPAC name of 2-(trifluoromethyl)phenol (CID 162212145) is 2-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(trifluoromethyl)phenol?
The canonical SMILES for 2-(trifluoromethyl)phenol is Oc1ccccc1C(F)(F)F.Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)phenol?
The InChIKey is ZSZKFIBKVLGVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5F3O/c2*8-7(9,10)5-3-1-2-4-6(5)11/h2*1-4,11H.
What are the key properties of 2-(trifluoromethyl)phenol?
2-(trifluoromethyl)phenol has a molecular weight of 324.22 g/mol, XLogP of 4.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)phenol is sourced from PubChem (CID 162212145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).