1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol

C10H14F3NO2 — CID 79106001

IUPAC1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1CCOCC(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-8(15)9-3-2-4-14(9)5-6-16-7-10(11,12)13/h2-4,8,15H,5-7H2,1H3
InChIKeyNPHGKKDNHGLHJS-UHFFFAOYSA-N
MW237.22 g/mol
LogP2.12
Rot. Bonds5

About 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol

1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol (PubChem CID 79106001) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol
PubChem CID79106001
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1CCOCC(F)(F)F
InChIInChI=1S/C10H14F3NO2/c1-8(15)9-3-2-4-14(9)5-6-16-7-10(11,12)13/h2-4,8,15H,5-7H2,1H3
InChIKeyNPHGKKDNHGLHJS-UHFFFAOYSA-N
XLogP2.12
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol (CID 79106001) is 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol is CC(O)c1cccn1CCOCC(F)(F)F.
What is the InChIKey of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol?
The InChIKey is NPHGKKDNHGLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c1-8(15)9-3-2-4-14(9)5-6-16-7-10(11,12)13/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol?
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol has a molecular weight of 237.22 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 79106001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).