N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine

C11H17F3N2 — CID 79604321

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCn1c(C)cc(CNCC(F)(F)F)c1C
InChIInChI=1S/C11H17F3N2/c1-4-16-8(2)5-10(9(16)3)6-15-7-11(12,13)14/h5,15H,4,6-7H2,1-3H3
InChIKeyTYFGQLRMTXPZQO-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.78
Rot. Bonds4

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 79604321) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID79604321
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCn1c(C)cc(CNCC(F)(F)F)c1C
InChIInChI=1S/C11H17F3N2/c1-4-16-8(2)5-10(9(16)3)6-15-7-11(12,13)14/h5,15H,4,6-7H2,1-3H3
InChIKeyTYFGQLRMTXPZQO-UHFFFAOYSA-N
XLogP2.78
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 79604321) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine is CCn1c(C)cc(CNCC(F)(F)F)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is TYFGQLRMTXPZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-4-16-8(2)5-10(9(16)3)6-15-7-11(12,13)14/h5,15H,4,6-7H2,1-3H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 234.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 79604321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).