2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol

C17H7F8NO — CID 2851238

IUPAC2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol
SMILESOC(c1ccc2ncccc2c1)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C17H7F8NO/c18-11-10(12(19)14(21)15(22)13(11)20)16(27,17(23,24)25)8-3-4-9-7(6-8)2-1-5-26-9/h1-6,27H
InChIKeyRBIQKVOJNSGRLQ-UHFFFAOYSA-N
MW393.23 g/mol
LogP4.73
Rot. Bonds2

About 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol

2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol (PubChem CID 2851238) has the molecular formula C17H7F8NO and a molecular weight of 393.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol
PubChem CID2851238
Molecular FormulaC17H7F8NO
Molecular Weight393.23 g/mol
Exact Mass393.04
IUPAC Name2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol
SMILESOC(c1ccc2ncccc2c1)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C17H7F8NO/c18-11-10(12(19)14(21)15(22)13(11)20)16(27,17(23,24)25)8-3-4-9-7(6-8)2-1-5-26-9/h1-6,27H
InChIKeyRBIQKVOJNSGRLQ-UHFFFAOYSA-N
XLogP4.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol (CID 2851238) is 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol is OC(c1ccc2ncccc2c1)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol?
The InChIKey is RBIQKVOJNSGRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F8NO/c18-11-10(12(19)14(21)15(22)13(11)20)16(27,17(23,24)25)8-3-4-9-7(6-8)2-1-5-26-9/h1-6,27H.
What are the key properties of 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol?
2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol has a molecular weight of 393.23 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol is sourced from PubChem (CID 2851238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).