2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid

C15H17F3O3 — CID 165476029

IUPAC2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid
SMILESCCCC1OCC(c2ccc(C(F)(F)F)cc2)C1C(=O)O
InChIInChI=1S/C15H17F3O3/c1-2-3-12-13(14(19)20)11(8-21-12)9-4-6-10(7-5-9)15(16,17)18/h4-7,11-13H,2-3,8H2,1H3,(H,19,20)
InChIKeyBAOLIABNAGWMSZ-UHFFFAOYSA-N
MW302.29 g/mol
LogP3.69
Rot. Bonds4

About 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid

2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid (PubChem CID 165476029) has the molecular formula C15H17F3O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid
PubChem CID165476029
Molecular FormulaC15H17F3O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid
SMILESCCCC1OCC(c2ccc(C(F)(F)F)cc2)C1C(=O)O
InChIInChI=1S/C15H17F3O3/c1-2-3-12-13(14(19)20)11(8-21-12)9-4-6-10(7-5-9)15(16,17)18/h4-7,11-13H,2-3,8H2,1H3,(H,19,20)
InChIKeyBAOLIABNAGWMSZ-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 159697418
(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylic acid
CID 15205306
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134162476
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
5-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876728
1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one
CID 150328883
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
5-heptyl-2-[4-(trifluoromethyl)phenyl]-1,3-dioxane
CID 19021195
3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 79320434
2-oxo-3-[2-[4-(trifluoromethyl)phenyl]cyclobutyl]propanoic acid
CID 66867722

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid?
The IUPAC name of 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid (CID 165476029) is 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid?
The canonical SMILES for 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid is CCCC1OCC(c2ccc(C(F)(F)F)cc2)C1C(=O)O.
What is the InChIKey of 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid?
The InChIKey is BAOLIABNAGWMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O3/c1-2-3-12-13(14(19)20)11(8-21-12)9-4-6-10(7-5-9)15(16,17)18/h4-7,11-13H,2-3,8H2,1H3,(H,19,20).
What are the key properties of 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid?
2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 165476029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).