4-(trifluoromethyl)-1H-pyrrol-2-amine

C5H5F3N2 — CID 90994152

IUPAC4-(trifluoromethyl)-1H-pyrrol-2-amine
SMILESNc1cc(C(F)(F)F)c[nH]1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)3-1-4(9)10-2-3/h1-2,10H,9H2
InChIKeyWVGJUQXQOPNLDN-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.62
Rot. Bonds

About 4-(trifluoromethyl)-1H-pyrrol-2-amine

4-(trifluoromethyl)-1H-pyrrol-2-amine (PubChem CID 90994152) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1H-pyrrol-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1H-pyrrol-2-amine
PubChem CID90994152
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name4-(trifluoromethyl)-1H-pyrrol-2-amine
SMILESNc1cc(C(F)(F)F)c[nH]1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)3-1-4(9)10-2-3/h1-2,10H,9H2
InChIKeyWVGJUQXQOPNLDN-UHFFFAOYSA-N
XLogP1.62
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1H-pyrrol-2-amine?
The IUPAC name of 4-(trifluoromethyl)-1H-pyrrol-2-amine (CID 90994152) is 4-(trifluoromethyl)-1H-pyrrol-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-1H-pyrrol-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-1H-pyrrol-2-amine is Nc1cc(C(F)(F)F)c[nH]1.
What is the InChIKey of 4-(trifluoromethyl)-1H-pyrrol-2-amine?
The InChIKey is WVGJUQXQOPNLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-5(7,8)3-1-4(9)10-2-3/h1-2,10H,9H2.
What are the key properties of 4-(trifluoromethyl)-1H-pyrrol-2-amine?
4-(trifluoromethyl)-1H-pyrrol-2-amine has a molecular weight of 150.10 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1H-pyrrol-2-amine is sourced from PubChem (CID 90994152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).