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

C11H16F3NO2 — CID 79098032

IUPAC2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C11H16F3NO2/c1-8(2)10(16)9-3-4-15(7-9)5-6-17-11(12,13)14/h3-4,7-8,10,16H,5-6H2,1-2H3
InChIKeyTYZBAKXZJPPRNZ-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.71
Rot. Bonds5

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

2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79098032) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol
PubChem CID79098032
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(CCOC(F)(F)F)c1
InChIInChI=1S/C11H16F3NO2/c1-8(2)10(16)9-3-4-15(7-9)5-6-17-11(12,13)14/h3-4,7-8,10,16H,5-6H2,1-2H3
InChIKeyTYZBAKXZJPPRNZ-UHFFFAOYSA-N
XLogP2.71
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol (CID 79098032) is 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol is CC(C)C(O)c1ccn(CCOC(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is TYZBAKXZJPPRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-8(2)10(16)9-3-4-15(7-9)5-6-17-11(12,13)14/h3-4,7-8,10,16H,5-6H2,1-2H3.
What are the key properties of 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 251.25 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79098032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).