[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol

C11H13F3O3 — CID 28561734

IUPAC[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESCCOc1cc(CO)ccc1OCC(F)(F)F
InChIInChI=1S/C11H13F3O3/c1-2-16-10-5-8(6-15)3-4-9(10)17-7-11(12,13)14/h3-5,15H,2,6-7H2,1H3
InChIKeyJAFINWVWFHFTTP-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.52
Rot. Bonds5

About [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol

[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol (PubChem CID 28561734) has the molecular formula C11H13F3O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
PubChem CID28561734
Molecular FormulaC11H13F3O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESCCOc1cc(CO)ccc1OCC(F)(F)F
InChIInChI=1S/C11H13F3O3/c1-2-16-10-5-8(6-15)3-4-9(10)17-7-11(12,13)14/h3-5,15H,2,6-7H2,1H3
InChIKeyJAFINWVWFHFTTP-UHFFFAOYSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2986175
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol
CID 111332801
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
CID 43309787
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908585
N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide
CID 119106874
N-[(2,5-difluorophenyl)methyl]-1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 119123734
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 119106543
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119106566
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046919

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol?
The IUPAC name of [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol (CID 28561734) is [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol.
What is the SMILES notation for [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol?
The canonical SMILES for [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol is CCOc1cc(CO)ccc1OCC(F)(F)F.
What is the InChIKey of [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol?
The InChIKey is JAFINWVWFHFTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O3/c1-2-16-10-5-8(6-15)3-4-9(10)17-7-11(12,13)14/h3-5,15H,2,6-7H2,1H3.
What are the key properties of [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol?
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol has a molecular weight of 250.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol is sourced from PubChem (CID 28561734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).