3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid

C15H19FO2 — CID 117379319

IUPAC3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1cc(C(CC(=O)O)C2CC2)ccc1F
InChIInChI=1S/C15H19FO2/c1-9(2)12-7-11(5-6-14(12)16)13(8-15(17)18)10-3-4-10/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyUVVZYJXICGDSJQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.92
Rot. Bonds5

About 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid

3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid (PubChem CID 117379319) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
PubChem CID117379319
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1cc(C(CC(=O)O)C2CC2)ccc1F
InChIInChI=1S/C15H19FO2/c1-9(2)12-7-11(5-6-14(12)16)13(8-15(17)18)10-3-4-10/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyUVVZYJXICGDSJQ-UHFFFAOYSA-N
XLogP3.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 117383662
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclobutyl-3-(3,4-difluorophenyl)propanoic acid
CID 82292705
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 117457802
3-cyclopropyl-3-[2-(dimethylamino)-5-propan-2-ylphenyl]propanoic acid
CID 117107854
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
CID 82124113
3-(4-bromo-3,5-difluorophenyl)-3-cyclopropylpropanoic acid
CID 117490252
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid (CID 117379319) is 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid is CC(C)c1cc(C(CC(=O)O)C2CC2)ccc1F.
What is the InChIKey of 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid?
The InChIKey is UVVZYJXICGDSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-9(2)12-7-11(5-6-14(12)16)13(8-15(17)18)10-3-4-10/h5-7,9-10,13H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid?
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid has a molecular weight of 250.31 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 117379319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).