3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol

C15H12F3NO2 — CID 130385268

IUPAC3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol
SMILESNC1Cc2c(O)cccc2OC1c1cc(F)c(F)cc1F
InChIInChI=1S/C15H12F3NO2/c16-9-6-11(18)10(17)4-7(9)15-12(19)5-8-13(20)2-1-3-14(8)21-15/h1-4,6,12,15,20H,5,19H2
InChIKeyPYCFPYLBPMMKMJ-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.81
Rot. Bonds1

About 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol

3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol (PubChem CID 130385268) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol
PubChem CID130385268
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol
SMILESNC1Cc2c(O)cccc2OC1c1cc(F)c(F)cc1F
InChIInChI=1S/C15H12F3NO2/c16-9-6-11(18)10(17)4-7(9)15-12(19)5-8-13(20)2-1-3-14(8)21-15/h1-4,6,12,15,20H,5,19H2
InChIKeyPYCFPYLBPMMKMJ-UHFFFAOYSA-N
XLogP2.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol (CID 130385268) is 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol is NC1Cc2c(O)cccc2OC1c1cc(F)c(F)cc1F.
What is the InChIKey of 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is PYCFPYLBPMMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-9-6-11(18)10(17)4-7(9)15-12(19)5-8-13(20)2-1-3-14(8)21-15/h1-4,6,12,15,20H,5,19H2.
What are the key properties of 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol?
3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 295.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 130385268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).