4-(3-chloro-5-fluorophenyl)-3-fluorophenol

C12H7ClF2O — CID 53219503

IUPAC4-(3-chloro-5-fluorophenyl)-3-fluorophenol
SMILESOc1ccc(-c2cc(F)cc(Cl)c2)c(F)c1
InChIInChI=1S/C12H7ClF2O/c13-8-3-7(4-9(14)5-8)11-2-1-10(16)6-12(11)15/h1-6,16H
InChIKeyHPDDYYWAJOHRTF-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.99
Rot. Bonds1

About 4-(3-chloro-5-fluorophenyl)-3-fluorophenol

4-(3-chloro-5-fluorophenyl)-3-fluorophenol (PubChem CID 53219503) has the molecular formula C12H7ClF2O and a molecular weight of 240.64 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-3-fluorophenol
PubChem CID53219503
Molecular FormulaC12H7ClF2O
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Name4-(3-chloro-5-fluorophenyl)-3-fluorophenol
SMILESOc1ccc(-c2cc(F)cc(Cl)c2)c(F)c1
InChIInChI=1S/C12H7ClF2O/c13-8-3-7(4-9(14)5-8)11-2-1-10(16)6-12(11)15/h1-6,16H
InChIKeyHPDDYYWAJOHRTF-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenyl)-3-fluorophenol?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-3-fluorophenol (CID 53219503) is 4-(3-chloro-5-fluorophenyl)-3-fluorophenol.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-3-fluorophenol?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-3-fluorophenol is Oc1ccc(-c2cc(F)cc(Cl)c2)c(F)c1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-3-fluorophenol?
The InChIKey is HPDDYYWAJOHRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O/c13-8-3-7(4-9(14)5-8)11-2-1-10(16)6-12(11)15/h1-6,16H.
What are the key properties of 4-(3-chloro-5-fluorophenyl)-3-fluorophenol?
4-(3-chloro-5-fluorophenyl)-3-fluorophenol has a molecular weight of 240.64 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenyl)-3-fluorophenol is sourced from PubChem (CID 53219503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).