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

C12H13FO2 — CID 83834060

IUPAC2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)(c1cccc(F)c1)C1CC1
InChIInChI=1S/C12H13FO2/c1-12(11(14)15,8-5-6-8)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyKORIQNWAEFJSEF-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.58
Rot. Bonds3

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

2-cyclopropyl-2-(3-fluorophenyl)propanoic acid (PubChem CID 83834060) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
PubChem CID83834060
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)(c1cccc(F)c1)C1CC1
InChIInChI=1S/C12H13FO2/c1-12(11(14)15,8-5-6-8)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyKORIQNWAEFJSEF-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid
CID 83833276
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
CID 129395594
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid
CID 114996604
2-cyclopropyl-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 83153866
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
CID 93279972
methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate
CID 66593115
2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976301
methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid
CID 106490422
2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 67957539

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-fluorophenyl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(3-fluorophenyl)propanoic acid (CID 83834060) is 2-cyclopropyl-2-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-fluorophenyl)propanoic acid is CC(C(=O)O)(c1cccc(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-fluorophenyl)propanoic acid?
The InChIKey is KORIQNWAEFJSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-12(11(14)15,8-5-6-8)9-3-2-4-10(13)7-9/h2-4,7-8H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(3-fluorophenyl)propanoic acid?
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid has a molecular weight of 208.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 83834060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).