4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol

C11H13F3O2 — CID 134968388

IUPAC4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)(O)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O2/c1-10(15,7-11(12,13)14)8-3-5-9(16-2)6-4-8/h3-6,15H,7H2,1-2H3
InChIKeyYOZSOCFAYFNVEJ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.86
Rot. Bonds3

About 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol

4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol (PubChem CID 134968388) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol
PubChem CID134968388
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)(O)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O2/c1-10(15,7-11(12,13)14)8-3-5-9(16-2)6-4-8/h3-6,15H,7H2,1-2H3
InChIKeyYOZSOCFAYFNVEJ-UHFFFAOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol (CID 134968388) is 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol is COc1ccc(C(C)(O)CC(F)(F)F)cc1.
What is the InChIKey of 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol?
The InChIKey is YOZSOCFAYFNVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-10(15,7-11(12,13)14)8-3-5-9(16-2)6-4-8/h3-6,15H,7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol?
4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 134968388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).