2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol

C8H5ClF4O — CID 117114438

IUPAC2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol
SMILESOCCc1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C8H5ClF4O/c9-4-7(12)5(10)3(1-2-14)6(11)8(4)13/h14H,1-2H2
InChIKeyBIXGJBIHMUZAIA-UHFFFAOYSA-N
MW228.57 g/mol
LogP2.43
Rot. Bonds2

About 2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol

2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol (PubChem CID 117114438) has the molecular formula C8H5ClF4O and a molecular weight of 228.57 g/mol. Its IUPAC name is 2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol
PubChem CID117114438
Molecular FormulaC8H5ClF4O
Molecular Weight228.57 g/mol
Exact Mass228.00
IUPAC Name2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol
SMILESOCCc1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C8H5ClF4O/c9-4-7(12)5(10)3(1-2-14)6(11)8(4)13/h14H,1-2H2
InChIKeyBIXGJBIHMUZAIA-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.57
LogP ≤ 52.43
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-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol?
The IUPAC name of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol (CID 117114438) is 2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol?
The canonical SMILES for 2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol is OCCc1c(F)c(F)c(Cl)c(F)c1F.
What is the InChIKey of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol?
The InChIKey is BIXGJBIHMUZAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4O/c9-4-7(12)5(10)3(1-2-14)6(11)8(4)13/h14H,1-2H2.
What are the key properties of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol?
2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol has a molecular weight of 228.57 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanol is sourced from PubChem (CID 117114438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).