6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid

C7H7F3O3 — CID 14898807

IUPAC6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC=CCO1
InChIInChI=1S/C7H7F3O3/c8-7(9,10)6(5(11)12)3-1-2-4-13-6/h1-2H,3-4H2,(H,11,12)
InChIKeyGJUFSQIKILNOIT-UHFFFAOYSA-N
MW196.12 g/mol
LogP1.35
Rot. Bonds1

About 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid

6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid (PubChem CID 14898807) has the molecular formula C7H7F3O3 and a molecular weight of 196.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid
PubChem CID14898807
Molecular FormulaC7H7F3O3
Molecular Weight196.12 g/mol
Exact Mass196.03
IUPAC Name6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC=CCO1
InChIInChI=1S/C7H7F3O3/c8-7(9,10)6(5(11)12)3-1-2-4-13-6/h1-2H,3-4H2,(H,11,12)
InChIKeyGJUFSQIKILNOIT-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid (CID 14898807) is 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid is O=C(O)C1(C(F)(F)F)CC=CCO1.
What is the InChIKey of 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid?
The InChIKey is GJUFSQIKILNOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O3/c8-7(9,10)6(5(11)12)3-1-2-4-13-6/h1-2H,3-4H2,(H,11,12).
What are the key properties of 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid?
6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid has a molecular weight of 196.12 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,5-dihydropyran-6-carboxylic acid is sourced from PubChem (CID 14898807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).