1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine

C10H15F3N2O — CID 66406912

IUPAC1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c1-8(14)6-9-2-3-15(7-9)4-5-16-10(11,12)13/h2-3,7-8H,4-6,14H2,1H3
InChIKeyOPSXXQSGHTURAY-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.91
Rot. Bonds5

About 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine

1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine (PubChem CID 66406912) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine
PubChem CID66406912
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C10H15F3N2O/c1-8(14)6-9-2-3-15(7-9)4-5-16-10(11,12)13/h2-3,7-8H,4-6,14H2,1H3
InChIKeyOPSXXQSGHTURAY-UHFFFAOYSA-N
XLogP1.91
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine (CID 66406912) is 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(CCOC(F)(F)F)c1.
What is the InChIKey of 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine?
The InChIKey is OPSXXQSGHTURAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-8(14)6-9-2-3-15(7-9)4-5-16-10(11,12)13/h2-3,7-8H,4-6,14H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine?
1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine has a molecular weight of 236.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 66406912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).