ethane;4-ethyl-2-(trifluoromethyl)phenol

C11H15F3O — CID 143680036

IUPACethane;4-ethyl-2-(trifluoromethyl)phenol
SMILESCC.CCc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3O.C2H6/c1-2-6-3-4-8(13)7(5-6)9(10,11)12;1-2/h3-5,13H,2H2,1H3;1-2H3
InChIKeyADACNVTXPMDNJD-UHFFFAOYSA-N
MW220.23 g/mol
LogP4.00
Rot. Bonds1

About ethane;4-ethyl-2-(trifluoromethyl)phenol

ethane;4-ethyl-2-(trifluoromethyl)phenol (PubChem CID 143680036) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is ethane;4-ethyl-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Nameethane;4-ethyl-2-(trifluoromethyl)phenol
PubChem CID143680036
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Nameethane;4-ethyl-2-(trifluoromethyl)phenol
SMILESCC.CCc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3O.C2H6/c1-2-6-3-4-8(13)7(5-6)9(10,11)12;1-2/h3-5,13H,2H2,1H3;1-2H3
InChIKeyADACNVTXPMDNJD-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82977713
4-[(hydroxyamino)methyl]-2-(trifluoromethyl)phenol
CID 117295399
3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 84706478
4-[[butan-2-yl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82976724
4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82983289
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
3-bromo-1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 134624971
1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 71048144
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 82983584
N-ethyl-2-[ethyl-[[4-hydroxy-3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 82957049
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-(trifluoromethyl)phenol?
The IUPAC name of ethane;4-ethyl-2-(trifluoromethyl)phenol (CID 143680036) is ethane;4-ethyl-2-(trifluoromethyl)phenol.
What is the SMILES notation for ethane;4-ethyl-2-(trifluoromethyl)phenol?
The canonical SMILES for ethane;4-ethyl-2-(trifluoromethyl)phenol is CC.CCc1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of ethane;4-ethyl-2-(trifluoromethyl)phenol?
The InChIKey is ADACNVTXPMDNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O.C2H6/c1-2-6-3-4-8(13)7(5-6)9(10,11)12;1-2/h3-5,13H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-2-(trifluoromethyl)phenol?
ethane;4-ethyl-2-(trifluoromethyl)phenol has a molecular weight of 220.23 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-(trifluoromethyl)phenol is sourced from PubChem (CID 143680036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).