2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid

C13H15FO2 — CID 83153866

IUPAC2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C13H15FO2/c1-13(12(15)16,10-5-6-10)8-9-3-2-4-11(14)7-9/h2-4,7,10H,5-6,8H2,1H3,(H,15,16)
InChIKeyJNPNUUADTUZNGV-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.87
Rot. Bonds4

About 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid

2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid (PubChem CID 83153866) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
PubChem CID83153866
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C13H15FO2/c1-13(12(15)16,10-5-6-10)8-9-3-2-4-11(14)7-9/h2-4,7,10H,5-6,8H2,1H3,(H,15,16)
InChIKeyJNPNUUADTUZNGV-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 107883030
2-(dipropylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 84752374
3-(3-fluorophenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid
CID 84752388
2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 114832131
1-(3-chloro-2-cyclopropyl-2-methylpropyl)-3-fluorobenzene
CID 83151393
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 61201728
3-(3-fluorophenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 114832162
2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 83154352
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
CID 114832026

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid (CID 83153866) is 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid is CC(Cc1cccc(F)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid?
The InChIKey is JNPNUUADTUZNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-13(12(15)16,10-5-6-10)8-9-3-2-4-11(14)7-9/h2-4,7,10H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid?
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid has a molecular weight of 222.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 83153866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).