2-chloro-3-ethyl-4,5,6-trifluorophenol

C8H6ClF3O — CID 166765191

IUPAC2-chloro-3-ethyl-4,5,6-trifluorophenol
SMILESCCc1c(F)c(F)c(F)c(O)c1Cl
InChIInChI=1S/C8H6ClF3O/c1-2-3-4(9)8(13)7(12)6(11)5(3)10/h13H,2H2,1H3
InChIKeyGTUKDZSQVATUNU-UHFFFAOYSA-N
MW210.58 g/mol
LogP3.03
Rot. Bonds1

About 2-chloro-3-ethyl-4,5,6-trifluorophenol

2-chloro-3-ethyl-4,5,6-trifluorophenol (PubChem CID 166765191) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is 2-chloro-3-ethyl-4,5,6-trifluorophenol.

Molecular Properties

Compound Name2-chloro-3-ethyl-4,5,6-trifluorophenol
PubChem CID166765191
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name2-chloro-3-ethyl-4,5,6-trifluorophenol
SMILESCCc1c(F)c(F)c(F)c(O)c1Cl
InChIInChI=1S/C8H6ClF3O/c1-2-3-4(9)8(13)7(12)6(11)5(3)10/h13H,2H2,1H3
InChIKeyGTUKDZSQVATUNU-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-chloro-3-ethyl-4,5,6-trifluorophenol?
The IUPAC name of 2-chloro-3-ethyl-4,5,6-trifluorophenol (CID 166765191) is 2-chloro-3-ethyl-4,5,6-trifluorophenol.
What is the SMILES notation for 2-chloro-3-ethyl-4,5,6-trifluorophenol?
The canonical SMILES for 2-chloro-3-ethyl-4,5,6-trifluorophenol is CCc1c(F)c(F)c(F)c(O)c1Cl.
What is the InChIKey of 2-chloro-3-ethyl-4,5,6-trifluorophenol?
The InChIKey is GTUKDZSQVATUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c1-2-3-4(9)8(13)7(12)6(11)5(3)10/h13H,2H2,1H3.
What are the key properties of 2-chloro-3-ethyl-4,5,6-trifluorophenol?
2-chloro-3-ethyl-4,5,6-trifluorophenol has a molecular weight of 210.58 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-4,5,6-trifluorophenol is sourced from PubChem (CID 166765191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).