2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid

C10H11F3O4 — CID 163269526

IUPAC2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
SMILESC=CCC1CC(C(=O)O)=C(C(F)(F)F)OC1O
InChIInChI=1S/C10H11F3O4/c1-2-3-5-4-6(8(14)15)7(10(11,12)13)17-9(5)16/h2,5,9,16H,1,3-4H2,(H,14,15)
InChIKeyKEUIHYIRIAOSNS-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.82
Rot. Bonds3

About 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid

2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid (PubChem CID 163269526) has the molecular formula C10H11F3O4 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
PubChem CID163269526
Molecular FormulaC10H11F3O4
Molecular Weight252.19 g/mol
Exact Mass252.06
IUPAC Name2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
SMILESC=CCC1CC(C(=O)O)=C(C(F)(F)F)OC1O
InChIInChI=1S/C10H11F3O4/c1-2-3-5-4-6(8(14)15)7(10(11,12)13)17-9(5)16/h2,5,9,16H,1,3-4H2,(H,14,15)
InChIKeyKEUIHYIRIAOSNS-UHFFFAOYSA-N
XLogP1.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 163269520
ethyl 2-hydroxy-3-propyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 163269523

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid?
The IUPAC name of 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid (CID 163269526) is 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid?
The canonical SMILES for 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid is C=CCC1CC(C(=O)O)=C(C(F)(F)F)OC1O.
What is the InChIKey of 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid?
The InChIKey is KEUIHYIRIAOSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O4/c1-2-3-5-4-6(8(14)15)7(10(11,12)13)17-9(5)16/h2,5,9,16H,1,3-4H2,(H,14,15).
What are the key properties of 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid?
2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid has a molecular weight of 252.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylic acid is sourced from PubChem (CID 163269526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).