2-(5,5,5-trifluoropentoxy)phenol

C11H13F3O2 — CID 141247265

IUPAC2-(5,5,5-trifluoropentoxy)phenol
SMILESOc1ccccc1OCCCCC(F)(F)F
InChIInChI=1S/C11H13F3O2/c12-11(13,14)7-3-4-8-16-10-6-2-1-5-9(10)15/h1-2,5-6,15H,3-4,7-8H2
InChIKeyHCIOSRQVYUNYLJ-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.50
Rot. Bonds5

About 2-(5,5,5-trifluoropentoxy)phenol

2-(5,5,5-trifluoropentoxy)phenol (PubChem CID 141247265) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(5,5,5-trifluoropentoxy)phenol.

Molecular Properties

Compound Name2-(5,5,5-trifluoropentoxy)phenol
PubChem CID141247265
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-(5,5,5-trifluoropentoxy)phenol
SMILESOc1ccccc1OCCCCC(F)(F)F
InChIInChI=1S/C11H13F3O2/c12-11(13,14)7-3-4-8-16-10-6-2-1-5-9(10)15/h1-2,5-6,15H,3-4,7-8H2
InChIKeyHCIOSRQVYUNYLJ-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5,5,5-trifluoropentoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
2-tridecoxyphenol
CID 67178320
2-(5-bromopentoxy)phenol
CID 13197601
2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)phenol
CID 18448872
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol
CID 139058411
2-fluoro-1-methyl-3-(4,4,4-trifluorobutoxy)benzene
CID 107661943
2-methyl-N-[[2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513209
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
2-amino-3-(4,4,4-trifluorobutoxy)benzamide
CID 82787642

Frequently Asked Questions

What is the IUPAC name of 2-(5,5,5-trifluoropentoxy)phenol?
The IUPAC name of 2-(5,5,5-trifluoropentoxy)phenol (CID 141247265) is 2-(5,5,5-trifluoropentoxy)phenol.
What is the SMILES notation for 2-(5,5,5-trifluoropentoxy)phenol?
The canonical SMILES for 2-(5,5,5-trifluoropentoxy)phenol is Oc1ccccc1OCCCCC(F)(F)F.
What is the InChIKey of 2-(5,5,5-trifluoropentoxy)phenol?
The InChIKey is HCIOSRQVYUNYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c12-11(13,14)7-3-4-8-16-10-6-2-1-5-9(10)15/h1-2,5-6,15H,3-4,7-8H2.
What are the key properties of 2-(5,5,5-trifluoropentoxy)phenol?
2-(5,5,5-trifluoropentoxy)phenol has a molecular weight of 234.22 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,5-trifluoropentoxy)phenol is sourced from PubChem (CID 141247265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).