3-chloro-4-ethenyl-2-fluorophenol

C8H6ClFO — CID 122207273

IUPAC3-chloro-4-ethenyl-2-fluorophenol
SMILESC=Cc1ccc(O)c(F)c1Cl
InChIInChI=1S/C8H6ClFO/c1-2-5-3-4-6(11)8(10)7(5)9/h2-4,11H,1H2
InChIKeyHKFPTYYWYOKMHR-UHFFFAOYSA-N
MW172.59 g/mol
LogP2.83
Rot. Bonds1

About 3-chloro-4-ethenyl-2-fluorophenol

3-chloro-4-ethenyl-2-fluorophenol (PubChem CID 122207273) has the molecular formula C8H6ClFO and a molecular weight of 172.59 g/mol. Its IUPAC name is 3-chloro-4-ethenyl-2-fluorophenol.

Molecular Properties

Compound Name3-chloro-4-ethenyl-2-fluorophenol
PubChem CID122207273
Molecular FormulaC8H6ClFO
Molecular Weight172.59 g/mol
Exact Mass172.01
IUPAC Name3-chloro-4-ethenyl-2-fluorophenol
SMILESC=Cc1ccc(O)c(F)c1Cl
InChIInChI=1S/C8H6ClFO/c1-2-5-3-4-6(11)8(10)7(5)9/h2-4,11H,1H2
InChIKeyHKFPTYYWYOKMHR-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethenyl-2-fluorophenol?
The IUPAC name of 3-chloro-4-ethenyl-2-fluorophenol (CID 122207273) is 3-chloro-4-ethenyl-2-fluorophenol.
What is the SMILES notation for 3-chloro-4-ethenyl-2-fluorophenol?
The canonical SMILES for 3-chloro-4-ethenyl-2-fluorophenol is C=Cc1ccc(O)c(F)c1Cl.
What is the InChIKey of 3-chloro-4-ethenyl-2-fluorophenol?
The InChIKey is HKFPTYYWYOKMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO/c1-2-5-3-4-6(11)8(10)7(5)9/h2-4,11H,1H2.
What are the key properties of 3-chloro-4-ethenyl-2-fluorophenol?
3-chloro-4-ethenyl-2-fluorophenol has a molecular weight of 172.59 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethenyl-2-fluorophenol is sourced from PubChem (CID 122207273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).