2-(2-chloro-3,5-difluorophenyl)ethanol

C8H7ClF2O — CID 117283325

IUPAC2-(2-chloro-3,5-difluorophenyl)ethanol
SMILESOCCc1cc(F)cc(F)c1Cl
InChIInChI=1S/C8H7ClF2O/c9-8-5(1-2-12)3-6(10)4-7(8)11/h3-4,12H,1-2H2
InChIKeyQTHUBEMCXNJYAW-UHFFFAOYSA-N
MW192.59 g/mol
LogP2.15
Rot. Bonds2

About 2-(2-chloro-3,5-difluorophenyl)ethanol

2-(2-chloro-3,5-difluorophenyl)ethanol (PubChem CID 117283325) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 2-(2-chloro-3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3,5-difluorophenyl)ethanol
PubChem CID117283325
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name2-(2-chloro-3,5-difluorophenyl)ethanol
SMILESOCCc1cc(F)cc(F)c1Cl
InChIInChI=1S/C8H7ClF2O/c9-8-5(1-2-12)3-6(10)4-7(8)11/h3-4,12H,1-2H2
InChIKeyQTHUBEMCXNJYAW-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,5-difluorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-3,5-difluorophenyl)ethanol (CID 117283325) is 2-(2-chloro-3,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3,5-difluorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-3,5-difluorophenyl)ethanol is OCCc1cc(F)cc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3,5-difluorophenyl)ethanol?
The InChIKey is QTHUBEMCXNJYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c9-8-5(1-2-12)3-6(10)4-7(8)11/h3-4,12H,1-2H2.
What are the key properties of 2-(2-chloro-3,5-difluorophenyl)ethanol?
2-(2-chloro-3,5-difluorophenyl)ethanol has a molecular weight of 192.59 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,5-difluorophenyl)ethanol is sourced from PubChem (CID 117283325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).