1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine

C11H17F3N2 — CID 79108593

IUPAC1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2/c1-2-3-10(15)9-4-6-16(8-9)7-5-11(12,13)14/h4,6,8,10H,2-3,5,7,15H2,1H3
InChIKeyCJXBNYWGZLADLX-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.24
Rot. Bonds5

About 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine

1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine (PubChem CID 79108593) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine
PubChem CID79108593
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2/c1-2-3-10(15)9-4-6-16(8-9)7-5-11(12,13)14/h4,6,8,10H,2-3,5,7,15H2,1H3
InChIKeyCJXBNYWGZLADLX-UHFFFAOYSA-N
XLogP3.24
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine (CID 79108593) is 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(CCC(F)(F)F)c1.
What is the InChIKey of 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is CJXBNYWGZLADLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-2-3-10(15)9-4-6-16(8-9)7-5-11(12,13)14/h4,6,8,10H,2-3,5,7,15H2,1H3.
What are the key properties of 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine?
1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 234.26 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79108593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).