2-ethyl-2-(trifluoromethyl)chromen-7-ol

C12H11F3O2 — CID 141098205

IUPAC2-ethyl-2-(trifluoromethyl)chromen-7-ol
SMILESCCC1(C(F)(F)F)C=Cc2ccc(O)cc2O1
InChIInChI=1S/C12H11F3O2/c1-2-11(12(13,14)15)6-5-8-3-4-9(16)7-10(8)17-11/h3-7,16H,2H2,1H3
InChIKeyKJOWTJGSHCOVFK-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.51
Rot. Bonds1

About 2-ethyl-2-(trifluoromethyl)chromen-7-ol

2-ethyl-2-(trifluoromethyl)chromen-7-ol (PubChem CID 141098205) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-ethyl-2-(trifluoromethyl)chromen-7-ol.

Molecular Properties

Compound Name2-ethyl-2-(trifluoromethyl)chromen-7-ol
PubChem CID141098205
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name2-ethyl-2-(trifluoromethyl)chromen-7-ol
SMILESCCC1(C(F)(F)F)C=Cc2ccc(O)cc2O1
InChIInChI=1S/C12H11F3O2/c1-2-11(12(13,14)15)6-5-8-3-4-9(16)7-10(8)17-11/h3-7,16H,2H2,1H3
InChIKeyKJOWTJGSHCOVFK-UHFFFAOYSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-7-(2-methylpentan-2-yl)-2-(trifluoromethyl)chromene
CID 141097889
7-(3,3-dimethylbutyl)-2-ethyl-2-(trifluoromethyl)chromene
CID 141098242
2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene
CID 141097992
2-ethyl-5-methyl-2-(trifluoromethyl)chromene
CID 141097999
2H-chromene-3-carboxylic acid;2-ethyl-2-(trifluoromethyl)chromene
CID 161326997
7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol
CID 101359385
1-[2-ethyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromen-8-yl]ethanone
CID 141097928
2-ethyl-2H-chromen-7-ol
CID 144761238
7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one
CID 71209868
7-[(4-methylphenyl)methyl]-2-(trifluoromethyl)chromene-2-carboxylic acid
CID 151356201
2-fluoro-2-methyl-1,3-benzodioxol-5-ol
CID 122451471
2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol
CID 11779665

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(trifluoromethyl)chromen-7-ol?
The IUPAC name of 2-ethyl-2-(trifluoromethyl)chromen-7-ol (CID 141098205) is 2-ethyl-2-(trifluoromethyl)chromen-7-ol.
What is the SMILES notation for 2-ethyl-2-(trifluoromethyl)chromen-7-ol?
The canonical SMILES for 2-ethyl-2-(trifluoromethyl)chromen-7-ol is CCC1(C(F)(F)F)C=Cc2ccc(O)cc2O1.
What is the InChIKey of 2-ethyl-2-(trifluoromethyl)chromen-7-ol?
The InChIKey is KJOWTJGSHCOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-2-11(12(13,14)15)6-5-8-3-4-9(16)7-10(8)17-11/h3-7,16H,2H2,1H3.
What are the key properties of 2-ethyl-2-(trifluoromethyl)chromen-7-ol?
2-ethyl-2-(trifluoromethyl)chromen-7-ol has a molecular weight of 244.21 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(trifluoromethyl)chromen-7-ol is sourced from PubChem (CID 141098205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).