2,3-diethyl-4-(trifluoromethyl)phenol

C11H13F3O — CID 150673700

IUPAC2,3-diethyl-4-(trifluoromethyl)phenol
SMILESCCc1c(O)ccc(C(F)(F)F)c1CC
InChIInChI=1S/C11H13F3O/c1-3-7-8(4-2)10(15)6-5-9(7)11(12,13)14/h5-6,15H,3-4H2,1-2H3
InChIKeyJGKICUCDDKALKN-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.54
Rot. Bonds2

About 2,3-diethyl-4-(trifluoromethyl)phenol

2,3-diethyl-4-(trifluoromethyl)phenol (PubChem CID 150673700) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2,3-diethyl-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,3-diethyl-4-(trifluoromethyl)phenol
PubChem CID150673700
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2,3-diethyl-4-(trifluoromethyl)phenol
SMILESCCc1c(O)ccc(C(F)(F)F)c1CC
InChIInChI=1S/C11H13F3O/c1-3-7-8(4-2)10(15)6-5-9(7)11(12,13)14/h5-6,15H,3-4H2,1-2H3
InChIKeyJGKICUCDDKALKN-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(hydroxymethyl)-4-(trifluoromethyl)benzene-1,2-diol
CID 84675775
1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
CID 122548871
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
1-(bromomethyl)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742793
ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate
CID 134639188
azane;2,3-diethyl-4-(trifluoromethyl)pyridine
CID 174607382
2-(2-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311833
3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
CID 176694271
1-[3-ethyl-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 171033840
4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
2,3-diethyl-4-hydroxybenzoic acid
CID 66720477
3-chloro-2-ethyl-4-fluorophenol
CID 75365718

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-4-(trifluoromethyl)phenol?
The IUPAC name of 2,3-diethyl-4-(trifluoromethyl)phenol (CID 150673700) is 2,3-diethyl-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2,3-diethyl-4-(trifluoromethyl)phenol?
The canonical SMILES for 2,3-diethyl-4-(trifluoromethyl)phenol is CCc1c(O)ccc(C(F)(F)F)c1CC.
What is the InChIKey of 2,3-diethyl-4-(trifluoromethyl)phenol?
The InChIKey is JGKICUCDDKALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-3-7-8(4-2)10(15)6-5-9(7)11(12,13)14/h5-6,15H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-4-(trifluoromethyl)phenol?
2,3-diethyl-4-(trifluoromethyl)phenol has a molecular weight of 218.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4-(trifluoromethyl)phenol is sourced from PubChem (CID 150673700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).