ethane;2-(trifluoromethyl)phenol

C9H11F3O — CID 142291947

IUPACethane;2-(trifluoromethyl)phenol
SMILESCC.Oc1ccccc1C(F)(F)F
InChIInChI=1S/C7H5F3O.C2H6/c8-7(9,10)5-3-1-2-4-6(5)11;1-2/h1-4,11H;1-2H3
InChIKeyKNAFIJJDDIVXDN-UHFFFAOYSA-N
MW192.18 g/mol
LogP3.44
Rot. Bonds

About ethane;2-(trifluoromethyl)phenol

ethane;2-(trifluoromethyl)phenol (PubChem CID 142291947) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is ethane;2-(trifluoromethyl)phenol.

Molecular Properties

Compound Nameethane;2-(trifluoromethyl)phenol
PubChem CID142291947
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Nameethane;2-(trifluoromethyl)phenol
SMILESCC.Oc1ccccc1C(F)(F)F
InChIInChI=1S/C7H5F3O.C2H6/c8-7(9,10)5-3-1-2-4-6(5)11;1-2/h1-4,11H;1-2H3
InChIKeyKNAFIJJDDIVXDN-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(trifluoromethyl)phenol
CID 162212145
cyclopenta-1,3-diene;bis(2-(trifluoromethyl)phenol);zirconium
CID 154426888
2-(1,1-difluoro-2,2-dimethylpropyl)phenol
CID 83855896
2-[chloro(difluoro)methyl]phenol
CID 19981781
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
bis(2-methylcyclopenta-1,3-diene);bis(2-(trifluoromethyl)phenol);zirconium(2+)
CID 22676063
bis(1,3-dimethylcyclopenta-1,3-diene);bis(2-(trifluoromethyl)phenol);zirconium(2+)
CID 87777488
2,4-dibromo-6-(trifluoromethyl)phenol;2-(trifluoromethyl)phenol
CID 160517438
CID 172777673
CID 172777673
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
hydroxy-tris[2-(trifluoromethyl)phenyl]silane
CID 140903404
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249

Frequently Asked Questions

What is the IUPAC name of ethane;2-(trifluoromethyl)phenol?
The IUPAC name of ethane;2-(trifluoromethyl)phenol (CID 142291947) is ethane;2-(trifluoromethyl)phenol.
What is the SMILES notation for ethane;2-(trifluoromethyl)phenol?
The canonical SMILES for ethane;2-(trifluoromethyl)phenol is CC.Oc1ccccc1C(F)(F)F.
What is the InChIKey of ethane;2-(trifluoromethyl)phenol?
The InChIKey is KNAFIJJDDIVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O.C2H6/c8-7(9,10)5-3-1-2-4-6(5)11;1-2/h1-4,11H;1-2H3.
What are the key properties of ethane;2-(trifluoromethyl)phenol?
ethane;2-(trifluoromethyl)phenol has a molecular weight of 192.18 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(trifluoromethyl)phenol is sourced from PubChem (CID 142291947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).