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

C10H12F3NO2 — CID 79098531

IUPAC1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2/c1-2-9(15)8-3-4-14(7-8)5-6-16-10(11,12)13/h3-4,7H,2,5-6H2,1H3
InChIKeyMKEFDDOZGKZZAY-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.62
Rot. Bonds5

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

1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one (PubChem CID 79098531) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one
PubChem CID79098531
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2/c1-2-9(15)8-3-4-14(7-8)5-6-16-10(11,12)13/h3-4,7H,2,5-6H2,1H3
InChIKeyMKEFDDOZGKZZAY-UHFFFAOYSA-N
XLogP2.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
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-1-one?
The IUPAC name of 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one (CID 79098531) is 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one is CCC(=O)c1ccn(CCOC(F)(F)F)c1.
What is the InChIKey of 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one?
The InChIKey is MKEFDDOZGKZZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-2-9(15)8-3-4-14(7-8)5-6-16-10(11,12)13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one?
1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-one has a molecular weight of 235.20 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 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-1-one is sourced from PubChem (CID 79098531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).