2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid

C13H15FO3 — CID 114996604

IUPAC2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid
SMILESCC(OC1CCC1)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C13H15FO3/c1-13(12(15)16,17-11-6-3-7-11)9-4-2-5-10(14)8-9/h2,4-5,8,11H,3,6-7H2,1H3,(H,15,16)
InChIKeyYCTVIRIUOIHNIP-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.69
Rot. Bonds4

About 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid

2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid (PubChem CID 114996604) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid
PubChem CID114996604
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid
SMILESCC(OC1CCC1)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C13H15FO3/c1-13(12(15)16,17-11-6-3-7-11)9-4-2-5-10(14)8-9/h2,4-5,8,11H,3,6-7H2,1H3,(H,15,16)
InChIKeyYCTVIRIUOIHNIP-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
(2R)-2-amino-2-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393513
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976301
2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid
CID 106490422
methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate
CID 66593115
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(3-fluorophenyl)-2-formamidopropanoic acid
CID 63687632
3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 83842692

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid?
The IUPAC name of 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid (CID 114996604) is 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid is CC(OC1CCC1)(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid?
The InChIKey is YCTVIRIUOIHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-13(12(15)16,17-11-6-3-7-11)9-4-2-5-10(14)8-9/h2,4-5,8,11H,3,6-7H2,1H3,(H,15,16).
What are the key properties of 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid?
2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid has a molecular weight of 238.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 114996604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).