1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine

C10H15F3N2 — CID 79110016

IUPAC1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-2-3-9(14)8-4-5-15(6-8)7-10(11,12)13/h4-6,9H,2-3,7,14H2,1H3
InChIKeyVCFBIIVCNXCRAU-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.85
Rot. Bonds4

About 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine

1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine (PubChem CID 79110016) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine
PubChem CID79110016
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(CC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2/c1-2-3-9(14)8-4-5-15(6-8)7-10(11,12)13/h4-6,9H,2-3,7,14H2,1H3
InChIKeyVCFBIIVCNXCRAU-UHFFFAOYSA-N
XLogP2.85
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine (CID 79110016) is 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(CC(F)(F)F)c1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is VCFBIIVCNXCRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-2-3-9(14)8-4-5-15(6-8)7-10(11,12)13/h4-6,9H,2-3,7,14H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine?
1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 220.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79110016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).