2-propoxy-1-(2,3,4-trifluorophenyl)ethanol

C11H13F3O2 — CID 62964280

IUPAC2-propoxy-1-(2,3,4-trifluorophenyl)ethanol
SMILESCCCOCC(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3O2/c1-2-5-16-6-9(15)7-3-4-8(12)11(14)10(7)13/h3-4,9,15H,2,5-6H2,1H3
InChIKeyHIAZWFABDCEOJX-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.56
Rot. Bonds5

About 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol

2-propoxy-1-(2,3,4-trifluorophenyl)ethanol (PubChem CID 62964280) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-propoxy-1-(2,3,4-trifluorophenyl)ethanol
PubChem CID62964280
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-propoxy-1-(2,3,4-trifluorophenyl)ethanol
SMILESCCCOCC(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3O2/c1-2-5-16-6-9(15)7-3-4-8(12)11(14)10(7)13/h3-4,9,15H,2,5-6H2,1H3
InChIKeyHIAZWFABDCEOJX-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol?
The IUPAC name of 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol (CID 62964280) is 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol.
What is the SMILES notation for 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol?
The canonical SMILES for 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol is CCCOCC(O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol?
The InChIKey is HIAZWFABDCEOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-2-5-16-6-9(15)7-3-4-8(12)11(14)10(7)13/h3-4,9,15H,2,5-6H2,1H3.
What are the key properties of 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol?
2-propoxy-1-(2,3,4-trifluorophenyl)ethanol has a molecular weight of 234.22 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-(2,3,4-trifluorophenyl)ethanol is sourced from PubChem (CID 62964280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).