4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol

C12H4Cl2F4O — CID 134623128

IUPAC4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol
SMILESOc1c(F)c(F)c(-c2ccc(Cl)c(Cl)c2)c(F)c1F
InChIInChI=1S/C12H4Cl2F4O/c13-5-2-1-4(3-6(5)14)7-8(15)10(17)12(19)11(18)9(7)16/h1-3,19H
InChIKeyNAOVKAVMNFNWKY-UHFFFAOYSA-N
MW311.06 g/mol
LogP4.92
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol

4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol (PubChem CID 134623128) has the molecular formula C12H4Cl2F4O and a molecular weight of 311.06 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol
PubChem CID134623128
Molecular FormulaC12H4Cl2F4O
Molecular Weight311.06 g/mol
Exact Mass309.96
IUPAC Name4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol
SMILESOc1c(F)c(F)c(-c2ccc(Cl)c(Cl)c2)c(F)c1F
InChIInChI=1S/C12H4Cl2F4O/c13-5-2-1-4(3-6(5)14)7-8(15)10(17)12(19)11(18)9(7)16/h1-3,19H
InChIKeyNAOVKAVMNFNWKY-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.06
LogP ≤ 54.92
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 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol?
The IUPAC name of 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol (CID 134623128) is 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol is Oc1c(F)c(F)c(-c2ccc(Cl)c(Cl)c2)c(F)c1F.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol?
The InChIKey is NAOVKAVMNFNWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2F4O/c13-5-2-1-4(3-6(5)14)7-8(15)10(17)12(19)11(18)9(7)16/h1-3,19H.
What are the key properties of 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol?
4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol has a molecular weight of 311.06 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2,3,5,6-tetrafluorophenol is sourced from PubChem (CID 134623128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).