2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol

C12H15F3O2 — CID 156763137

IUPAC2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
SMILESCCOc1ccccc1C(C)(O)CC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-3-17-10-7-5-4-6-9(10)11(2,16)8-12(13,14)15/h4-7,16H,3,8H2,1-2H3
InChIKeyMVGALJLLEDYEPO-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.25
Rot. Bonds4

About 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol

2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol (PubChem CID 156763137) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
PubChem CID156763137
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
SMILESCCOc1ccccc1C(C)(O)CC(F)(F)F
InChIInChI=1S/C12H15F3O2/c1-3-17-10-7-5-4-6-9(10)11(2,16)8-12(13,14)15/h4-7,16H,3,8H2,1-2H3
InChIKeyMVGALJLLEDYEPO-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4,4,4-trifluoro-2-hydroxybutan-2-yl)phenyl] acetate
CID 156765059
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
4,4,4-trifluoro-2-(2-iodophenyl)butan-2-ol
CID 156763954
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
2-(2,3-diethoxyphenyl)propan-2-ol
CID 174362963
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
2-(2-butan-2-yloxyphenyl)-4,4,5,5,5-pentafluoropentan-2-ol
CID 156764378

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol?
The IUPAC name of 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol (CID 156763137) is 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol is CCOc1ccccc1C(C)(O)CC(F)(F)F.
What is the InChIKey of 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol?
The InChIKey is MVGALJLLEDYEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-3-17-10-7-5-4-6-9(10)11(2,16)8-12(13,14)15/h4-7,16H,3,8H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol?
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol has a molecular weight of 248.24 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 156763137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).