[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol

C10H14F3NO2 — CID 66398925

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(CCCOCC(F)(F)F)c1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)8-16-5-1-3-14-4-2-9(6-14)7-15/h2,4,6,15H,1,3,5,7-8H2
InChIKeySOTYXRSGODIZKM-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.95
Rot. Bonds6

About [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol

[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol (PubChem CID 66398925) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol
PubChem CID66398925
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(CCCOCC(F)(F)F)c1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)8-16-5-1-3-14-4-2-9(6-14)7-15/h2,4,6,15H,1,3,5,7-8H2
InChIKeySOTYXRSGODIZKM-UHFFFAOYSA-N
XLogP1.95
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.95
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-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol (CID 66398925) is [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol is OCc1ccn(CCCOCC(F)(F)F)c1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol?
The InChIKey is SOTYXRSGODIZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)8-16-5-1-3-14-4-2-9(6-14)7-15/h2,4,6,15H,1,3,5,7-8H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol?
[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol has a molecular weight of 237.22 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66398925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).