2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid

C12H13FO3 — CID 105481638

IUPAC2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid
SMILESCC1(c2cccc(F)c2)OCCC1C(=O)O
InChIInChI=1S/C12H13FO3/c1-12(8-3-2-4-9(13)7-8)10(11(14)15)5-6-16-12/h2-4,7,10H,5-6H2,1H3,(H,14,15)
InChIKeyBKMOOSLEDLXJOK-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.16
Rot. Bonds2

About 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid

2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid (PubChem CID 105481638) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid
PubChem CID105481638
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid
SMILESCC1(c2cccc(F)c2)OCCC1C(=O)O
InChIInChI=1S/C12H13FO3/c1-12(8-3-2-4-9(13)7-8)10(11(14)15)5-6-16-12/h2-4,7,10H,5-6H2,1H3,(H,14,15)
InChIKeyBKMOOSLEDLXJOK-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15905279
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
methyl 4-(3-fluorophenyl)-4-methylpyrrolidine-3-carboxylate
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4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114834622
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
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1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid (CID 105481638) is 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid is CC1(c2cccc(F)c2)OCCC1C(=O)O.
What is the InChIKey of 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid?
The InChIKey is BKMOOSLEDLXJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-12(8-3-2-4-9(13)7-8)10(11(14)15)5-6-16-12/h2-4,7,10H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid?
2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 105481638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).