2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran

C11H9F3O — CID 143335161

IUPAC2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran
SMILESFc1cc(C2CC=CCO2)cc(F)c1F
InChIInChI=1S/C11H9F3O/c12-8-5-7(6-9(13)11(8)14)10-3-1-2-4-15-10/h1-2,5-6,10H,3-4H2
InChIKeyWMENOQOVCYSBDK-UHFFFAOYSA-N
MW214.19 g/mol
LogP3.12
Rot. Bonds1

About 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran

2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran (PubChem CID 143335161) has the molecular formula C11H9F3O and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran
PubChem CID143335161
Molecular FormulaC11H9F3O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran
SMILESFc1cc(C2CC=CCO2)cc(F)c1F
InChIInChI=1S/C11H9F3O/c12-8-5-7(6-9(13)11(8)14)10-3-1-2-4-15-10/h1-2,5-6,10H,3-4H2
InChIKeyWMENOQOVCYSBDK-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran (CID 143335161) is 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran is Fc1cc(C2CC=CCO2)cc(F)c1F.
What is the InChIKey of 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran?
The InChIKey is WMENOQOVCYSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O/c12-8-5-7(6-9(13)11(8)14)10-3-1-2-4-15-10/h1-2,5-6,10H,3-4H2.
What are the key properties of 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran?
2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran has a molecular weight of 214.19 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 143335161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).