1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine

C11H17F3N2 — CID 115518326

IUPAC1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-9(15)8-10-4-2-6-16(10)7-3-5-11(12,13)14/h2,4,6,9H,3,5,7-8,15H2,1H3
InChIKeyYEZDOQJDHADJKX-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.72
Rot. Bonds5

About 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine

1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine (PubChem CID 115518326) has the molecular formula C11H17F3N2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine
PubChem CID115518326
Molecular FormulaC11H17F3N2
Molecular Weight234.27 g/mol
Exact Mass234.13
IUPAC Name1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine
SMILESCC(N)Cc1cccn1CCCC(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-9(15)8-10-4-2-6-16(10)7-3-5-11(12,13)14/h2,4,6,9H,3,5,7-8,15H2,1H3
InChIKeyYEZDOQJDHADJKX-UHFFFAOYSA-N
XLogP2.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine (CID 115518326) is 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine is CC(N)Cc1cccn1CCCC(F)(F)F.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine?
The InChIKey is YEZDOQJDHADJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-9(15)8-10-4-2-6-16(10)7-3-5-11(12,13)14/h2,4,6,9H,3,5,7-8,15H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine?
1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine has a molecular weight of 234.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 115518326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).