5-(trifluoromethyl)-2H-pyrrol-3-amine

C5H5F3N2 — CID 161385004

IUPAC5-(trifluoromethyl)-2H-pyrrol-3-amine
SMILESNC1=CC(C(F)(F)F)=NC1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)4-1-3(9)2-10-4/h1H,2,9H2
InChIKeyOIMCHEYEUYPBKP-UHFFFAOYSA-N
MW150.10 g/mol
LogP0.85
Rot. Bonds

About 5-(trifluoromethyl)-2H-pyrrol-3-amine

5-(trifluoromethyl)-2H-pyrrol-3-amine (PubChem CID 161385004) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2H-pyrrol-3-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2H-pyrrol-3-amine
PubChem CID161385004
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name5-(trifluoromethyl)-2H-pyrrol-3-amine
SMILESNC1=CC(C(F)(F)F)=NC1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)4-1-3(9)2-10-4/h1H,2,9H2
InChIKeyOIMCHEYEUYPBKP-UHFFFAOYSA-N
XLogP0.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2H-pyrrol-3-amine?
The IUPAC name of 5-(trifluoromethyl)-2H-pyrrol-3-amine (CID 161385004) is 5-(trifluoromethyl)-2H-pyrrol-3-amine.
What is the SMILES notation for 5-(trifluoromethyl)-2H-pyrrol-3-amine?
The canonical SMILES for 5-(trifluoromethyl)-2H-pyrrol-3-amine is NC1=CC(C(F)(F)F)=NC1.
What is the InChIKey of 5-(trifluoromethyl)-2H-pyrrol-3-amine?
The InChIKey is OIMCHEYEUYPBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-5(7,8)4-1-3(9)2-10-4/h1H,2,9H2.
What are the key properties of 5-(trifluoromethyl)-2H-pyrrol-3-amine?
5-(trifluoromethyl)-2H-pyrrol-3-amine has a molecular weight of 150.10 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2H-pyrrol-3-amine is sourced from PubChem (CID 161385004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).