N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine

C11H17F3N2 — CID 79104899

IUPACN-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(CC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2/c1-3-10(15-4-2)9-5-6-16(7-9)8-11(12,13)14/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyIHPDCZNFERBLBM-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.11
Rot. Bonds5

About N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine

N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79104899) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79104899
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(CC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2/c1-3-10(15-4-2)9-5-6-16(7-9)8-11(12,13)14/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyIHPDCZNFERBLBM-UHFFFAOYSA-N
XLogP3.11
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine (CID 79104899) is N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine is CCNC(CC)c1ccn(CC(F)(F)F)c1.
What is the InChIKey of N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is IHPDCZNFERBLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-3-10(15-4-2)9-5-6-16(7-9)8-11(12,13)14/h5-7,10,15H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine?
N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 234.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79104899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).