2-[(2,3,4-trifluorophenyl)methylamino]ethanol

C9H10F3NO — CID 69003669

IUPAC2-[(2,3,4-trifluorophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c10-7-2-1-6(5-13-3-4-14)8(11)9(7)12/h1-2,13-14H,3-5H2
InChIKeyFGUFOJVVSFSGGR-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.19
Rot. Bonds4

About 2-[(2,3,4-trifluorophenyl)methylamino]ethanol

2-[(2,3,4-trifluorophenyl)methylamino]ethanol (PubChem CID 69003669) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-[(2,3,4-trifluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,3,4-trifluorophenyl)methylamino]ethanol
PubChem CID69003669
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-[(2,3,4-trifluorophenyl)methylamino]ethanol
SMILESOCCNCc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c10-7-2-1-6(5-13-3-4-14)8(11)9(7)12/h1-2,13-14H,3-5H2
InChIKeyFGUFOJVVSFSGGR-UHFFFAOYSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4-trifluorophenyl)methylamino]ethanol?
The IUPAC name of 2-[(2,3,4-trifluorophenyl)methylamino]ethanol (CID 69003669) is 2-[(2,3,4-trifluorophenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2,3,4-trifluorophenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2,3,4-trifluorophenyl)methylamino]ethanol is OCCNCc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[(2,3,4-trifluorophenyl)methylamino]ethanol?
The InChIKey is FGUFOJVVSFSGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-7-2-1-6(5-13-3-4-14)8(11)9(7)12/h1-2,13-14H,3-5H2.
What are the key properties of 2-[(2,3,4-trifluorophenyl)methylamino]ethanol?
2-[(2,3,4-trifluorophenyl)methylamino]ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4-trifluorophenyl)methylamino]ethanol is sourced from PubChem (CID 69003669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).