2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol

C14H19F3O2 — CID 116752097

IUPAC2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCOC(C)(CC)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-4-13(3,19-5-2)12(18)10-8-6-7-9-11(10)14(15,16)17/h6-9,12,18H,4-5H2,1-3H3
InChIKeyPNXIHNHTSHZFRJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.94
Rot. Bonds5

About 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol

2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 116752097) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID116752097
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCOC(C)(CC)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-4-13(3,19-5-2)12(18)10-8-6-7-9-11(10)14(15,16)17/h6-9,12,18H,4-5H2,1-3H3
InChIKeyPNXIHNHTSHZFRJ-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 103448986
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol
CID 116752226
2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 115795993
2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine
CID 116758612
ethyl 2,3-dihydroxy-3-[2-(trifluoromethyl)phenyl]propanoate
CID 171866347
2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol
CID 116752360
2-ethoxy-2-methyl-1-(2-methylphenyl)propan-1-ol
CID 116713777
1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol
CID 116810260
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
ethyl 2-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]butanoate
CID 62394555
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol (CID 116752097) is 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol is CCOC(C)(CC)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is PNXIHNHTSHZFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-4-13(3,19-5-2)12(18)10-8-6-7-9-11(10)14(15,16)17/h6-9,12,18H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 116752097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).