(1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine

C8H9F3N2 — CID 130641756

IUPAC(1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc[nH]c1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-2-6(12)5-3-4-13-7(5)8(9,10)11/h2-4,6,13H,1,12H2/t6-/m1/s1
InChIKeyMXSHOXZSVXXYIJ-ZCFIWIBFSA-N
MW190.17 g/mol
LogP2.22
Rot. Bonds2

About (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine

(1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine (PubChem CID 130641756) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine
PubChem CID130641756
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name(1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc[nH]c1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-2-6(12)5-3-4-13-7(5)8(9,10)11/h2-4,6,13H,1,12H2/t6-/m1/s1
InChIKeyMXSHOXZSVXXYIJ-ZCFIWIBFSA-N
XLogP2.22
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine?
The IUPAC name of (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine (CID 130641756) is (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine?
The canonical SMILES for (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine is C=C[C@@H](N)c1cc[nH]c1C(F)(F)F.
What is the InChIKey of (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine?
The InChIKey is MXSHOXZSVXXYIJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-2-6(12)5-3-4-13-7(5)8(9,10)11/h2-4,6,13H,1,12H2/t6-/m1/s1.
What are the key properties of (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine?
(1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine has a molecular weight of 190.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine is sourced from PubChem (CID 130641756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).