ethane;3-methyl-2-(trifluoromethyl)phenol

C10H13F3O — CID 171645193

IUPACethane;3-methyl-2-(trifluoromethyl)phenol
SMILESCC.Cc1cccc(O)c1C(F)(F)F
InChIInChI=1S/C8H7F3O.C2H6/c1-5-3-2-4-6(12)7(5)8(9,10)11;1-2/h2-4,12H,1H3;1-2H3
InChIKeyQWENFLUCKHFJIK-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.75
Rot. Bonds

About ethane;3-methyl-2-(trifluoromethyl)phenol

ethane;3-methyl-2-(trifluoromethyl)phenol (PubChem CID 171645193) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is ethane;3-methyl-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Nameethane;3-methyl-2-(trifluoromethyl)phenol
PubChem CID171645193
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Nameethane;3-methyl-2-(trifluoromethyl)phenol
SMILESCC.Cc1cccc(O)c1C(F)(F)F
InChIInChI=1S/C8H7F3O.C2H6/c1-5-3-2-4-6(12)7(5)8(9,10)11;1-2/h2-4,12H,1H3;1-2H3
InChIKeyQWENFLUCKHFJIK-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-fluoro-3-methyl-2-(trifluoromethyl)benzene
CID 143902908
ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane
CID 142595133
bis[3-methyl-2-(trifluoromethyl)phenyl]methanone
CID 139698418
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid
CID 91654271
4-fluoro-3-methyl-2-(trifluoromethyl)phenol
CID 171020836
ethane;2-methylphenol
CID 54326461
2-[3-methyl-2-(trifluoromethyl)phenyl]pyrimidine
CID 91496892
1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
CID 175251284
bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108
ethyl 2-[3-methyl-2-(trifluoromethyl)phenyl]acetate
CID 134633126
[3-hydroxy-2-(trifluoromethyl)phenyl] acetate
CID 164772519

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-(trifluoromethyl)phenol?
The IUPAC name of ethane;3-methyl-2-(trifluoromethyl)phenol (CID 171645193) is ethane;3-methyl-2-(trifluoromethyl)phenol.
What is the SMILES notation for ethane;3-methyl-2-(trifluoromethyl)phenol?
The canonical SMILES for ethane;3-methyl-2-(trifluoromethyl)phenol is CC.Cc1cccc(O)c1C(F)(F)F.
What is the InChIKey of ethane;3-methyl-2-(trifluoromethyl)phenol?
The InChIKey is QWENFLUCKHFJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.C2H6/c1-5-3-2-4-6(12)7(5)8(9,10)11;1-2/h2-4,12H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-2-(trifluoromethyl)phenol?
ethane;3-methyl-2-(trifluoromethyl)phenol has a molecular weight of 206.21 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-(trifluoromethyl)phenol is sourced from PubChem (CID 171645193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).