2-(trifluoromethyl)-3,6-dihydro-2H-pyran

C6H7F3O — CID 57069777

IUPAC2-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESFC(F)(F)C1CC=CCO1
InChIInChI=1S/C6H7F3O/c7-6(8,9)5-3-1-2-4-10-5/h1-2,5H,3-4H2
InChIKeyAKSLMGLUZTZAOG-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.89
Rot. Bonds

About 2-(trifluoromethyl)-3,6-dihydro-2H-pyran

2-(trifluoromethyl)-3,6-dihydro-2H-pyran (PubChem CID 57069777) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(trifluoromethyl)-3,6-dihydro-2H-pyran
PubChem CID57069777
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name2-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESFC(F)(F)C1CC=CCO1
InChIInChI=1S/C6H7F3O/c7-6(8,9)5-3-1-2-4-10-5/h1-2,5H,3-4H2
InChIKeyAKSLMGLUZTZAOG-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(trifluoromethyl)-3,6-dihydro-2H-pyran (CID 57069777) is 2-(trifluoromethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(trifluoromethyl)-3,6-dihydro-2H-pyran is FC(F)(F)C1CC=CCO1.
What is the InChIKey of 2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The InChIKey is AKSLMGLUZTZAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c7-6(8,9)5-3-1-2-4-10-5/h1-2,5H,3-4H2.
What are the key properties of 2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
2-(trifluoromethyl)-3,6-dihydro-2H-pyran has a molecular weight of 152.11 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 57069777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).