1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol

C12H11ClFNO2 — CID 54108882

IUPAC1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol
SMILESCc1ccc(Cl)c(-n2c(O)cc(CF)c2O)c1
InChIInChI=1S/C12H11ClFNO2/c1-7-2-3-9(13)10(4-7)15-11(16)5-8(6-14)12(15)17/h2-5,16-17H,6H2,1H3
InChIKeyNFRCCBFEAAUGBY-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.32
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol

1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol (PubChem CID 54108882) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol
PubChem CID54108882
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol
SMILESCc1ccc(Cl)c(-n2c(O)cc(CF)c2O)c1
InChIInChI=1S/C12H11ClFNO2/c1-7-2-3-9(13)10(4-7)15-11(16)5-8(6-14)12(15)17/h2-5,16-17H,6H2,1H3
InChIKeyNFRCCBFEAAUGBY-UHFFFAOYSA-N
XLogP3.32
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol (CID 54108882) is 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol is Cc1ccc(Cl)c(-n2c(O)cc(CF)c2O)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
The InChIKey is NFRCCBFEAAUGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c1-7-2-3-9(13)10(4-7)15-11(16)5-8(6-14)12(15)17/h2-5,16-17H,6H2,1H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol?
1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol has a molecular weight of 255.68 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-3-(fluoromethyl)pyrrole-2,5-diol is sourced from PubChem (CID 54108882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).