1-amino-4-(trifluoromethyl)pyrrol-2-ol

C5H5F3N2O — CID 162555706

IUPAC1-amino-4-(trifluoromethyl)pyrrol-2-ol
SMILESNn1cc(C(F)(F)F)cc1O
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)3-1-4(11)10(9)2-3/h1-2,11H,9H2
InChIKeyMLFZUSJIQDRGGQ-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.93
Rot. Bonds

About 1-amino-4-(trifluoromethyl)pyrrol-2-ol

1-amino-4-(trifluoromethyl)pyrrol-2-ol (PubChem CID 162555706) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 1-amino-4-(trifluoromethyl)pyrrol-2-ol.

Molecular Properties

Compound Name1-amino-4-(trifluoromethyl)pyrrol-2-ol
PubChem CID162555706
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name1-amino-4-(trifluoromethyl)pyrrol-2-ol
SMILESNn1cc(C(F)(F)F)cc1O
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)3-1-4(11)10(9)2-3/h1-2,11H,9H2
InChIKeyMLFZUSJIQDRGGQ-UHFFFAOYSA-N
XLogP0.93
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(trifluoromethyl)pyrrol-2-ol?
The IUPAC name of 1-amino-4-(trifluoromethyl)pyrrol-2-ol (CID 162555706) is 1-amino-4-(trifluoromethyl)pyrrol-2-ol.
What is the SMILES notation for 1-amino-4-(trifluoromethyl)pyrrol-2-ol?
The canonical SMILES for 1-amino-4-(trifluoromethyl)pyrrol-2-ol is Nn1cc(C(F)(F)F)cc1O.
What is the InChIKey of 1-amino-4-(trifluoromethyl)pyrrol-2-ol?
The InChIKey is MLFZUSJIQDRGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)3-1-4(11)10(9)2-3/h1-2,11H,9H2.
What are the key properties of 1-amino-4-(trifluoromethyl)pyrrol-2-ol?
1-amino-4-(trifluoromethyl)pyrrol-2-ol has a molecular weight of 166.10 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(trifluoromethyl)pyrrol-2-ol is sourced from PubChem (CID 162555706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).