[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine

C7H9F3N2 — CID 66407103

IUPAC[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h1-2,4H,3,5,11H2
InChIKeySSGSWCSVTRIMLP-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.51
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine

[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine (PubChem CID 66407103) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine
PubChem CID66407103
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(CC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h1-2,4H,3,5,11H2
InChIKeySSGSWCSVTRIMLP-UHFFFAOYSA-N
XLogP1.51
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine (CID 66407103) is [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine is NCc1ccn(CC(F)(F)F)c1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine?
The InChIKey is SSGSWCSVTRIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)5-12-2-1-6(3-11)4-12/h1-2,4H,3,5,11H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine?
[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine has a molecular weight of 178.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 66407103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).