(1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine

C8H11F3N2 — CID 55295562

IUPAC(1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
SMILESC[C@@H](N)c1cn(C)cc1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(12)6-3-13(2)4-7(6)8(9,10)11/h3-5H,12H2,1-2H3/t5-/m1/s1
InChIKeyYMVXICCNEWZSQA-RXMQYKEDSA-N
MW192.18 g/mol
LogP2.06
Rot. Bonds1

About (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine

(1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine (PubChem CID 55295562) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
PubChem CID55295562
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
SMILESC[C@@H](N)c1cn(C)cc1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(12)6-3-13(2)4-7(6)8(9,10)11/h3-5H,12H2,1-2H3/t5-/m1/s1
InChIKeyYMVXICCNEWZSQA-RXMQYKEDSA-N
XLogP2.06
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine?
The IUPAC name of (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine (CID 55295562) is (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine is C[C@@H](N)c1cn(C)cc1C(F)(F)F.
What is the InChIKey of (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine?
The InChIKey is YMVXICCNEWZSQA-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(12)6-3-13(2)4-7(6)8(9,10)11/h3-5H,12H2,1-2H3/t5-/m1/s1.
What are the key properties of (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine?
(1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine has a molecular weight of 192.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 55295562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).