3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine

C7H9F3N2 — CID 2740805

IUPAC3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
SMILESNCC(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5(4-11)6-2-1-3-12-6/h1-3,5,12H,4,11H2
InChIKeyMELZBDZZXYFOEF-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.62
Rot. Bonds2

About 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine

3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 2740805) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID2740805
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
SMILESNCC(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5(4-11)6-2-1-3-12-6/h1-3,5,12H,4,11H2
InChIKeyMELZBDZZXYFOEF-UHFFFAOYSA-N
XLogP1.62
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine (CID 2740805) is 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine is NCC(c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is MELZBDZZXYFOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)5(4-11)6-2-1-3-12-6/h1-3,5,12H,4,11H2.
What are the key properties of 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine?
3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 178.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 2740805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).