2-(2-chloroethyl)-3-fluorophenol

C8H8ClFO — CID 154073963

IUPAC2-(2-chloroethyl)-3-fluorophenol
SMILESOc1cccc(F)c1CCCl
InChIInChI=1S/C8H8ClFO/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3,11H,4-5H2
InChIKeyCTMIZMIBQJVIIM-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.31
Rot. Bonds2

About 2-(2-chloroethyl)-3-fluorophenol

2-(2-chloroethyl)-3-fluorophenol (PubChem CID 154073963) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-fluorophenol.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-fluorophenol
PubChem CID154073963
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name2-(2-chloroethyl)-3-fluorophenol
SMILESOc1cccc(F)c1CCCl
InChIInChI=1S/C8H8ClFO/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3,11H,4-5H2
InChIKeyCTMIZMIBQJVIIM-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

O-Cresol
CID 335
2-Ethylphenol
CID 6997
Nonylphenol
CID 67296
2-Isopropylphenol
CID 6943
2-Propylphenol
CID 12570
2-Allylphenol
CID 15624
2-sec-Butylphenol
CID 6984
n-Octylphenol
CID 13700
2-Ethenylphenol
CID 135442
2-Isobutylphenol
CID 93144
2-Benzylphenol
CID 24216
o-Pentylphenol
CID 61084

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-fluorophenol?
The IUPAC name of 2-(2-chloroethyl)-3-fluorophenol (CID 154073963) is 2-(2-chloroethyl)-3-fluorophenol.
What is the SMILES notation for 2-(2-chloroethyl)-3-fluorophenol?
The canonical SMILES for 2-(2-chloroethyl)-3-fluorophenol is Oc1cccc(F)c1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-3-fluorophenol?
The InChIKey is CTMIZMIBQJVIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3,11H,4-5H2.
What are the key properties of 2-(2-chloroethyl)-3-fluorophenol?
2-(2-chloroethyl)-3-fluorophenol has a molecular weight of 174.60 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-fluorophenol is sourced from PubChem (CID 154073963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).