2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C16H23F3O2 — CID 51003454

IUPAC2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCCC(C)c1cc(C(O)C(F)(F)F)cc(C(C)CC)c1O
InChIInChI=1S/C16H23F3O2/c1-5-9(3)12-7-11(15(21)16(17,18)19)8-13(14(12)20)10(4)6-2/h7-10,15,20-21H,5-6H2,1-4H3
InChIKeyHNJNOFCDVOUYMM-UHFFFAOYSA-N
MW304.35 g/mol
LogP5.01
Rot. Bonds5

About 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 51003454) has the molecular formula C16H23F3O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID51003454
Molecular FormulaC16H23F3O2
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCCC(C)c1cc(C(O)C(F)(F)F)cc(C(C)CC)c1O
InChIInChI=1S/C16H23F3O2/c1-5-9(3)12-7-11(15(21)16(17,18)19)8-13(14(12)20)10(4)6-2/h7-10,15,20-21H,5-6H2,1-4H3
InChIKeyHNJNOFCDVOUYMM-UHFFFAOYSA-N
XLogP5.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 51003454) is 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is CCC(C)c1cc(C(O)C(F)(F)F)cc(C(C)CC)c1O.
What is the InChIKey of 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is HNJNOFCDVOUYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O2/c1-5-9(3)12-7-11(15(21)16(17,18)19)8-13(14(12)20)10(4)6-2/h7-10,15,20-21H,5-6H2,1-4H3.
What are the key properties of 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol has a molecular weight of 304.35 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 51003454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).