3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid

C14H16F2O2 — CID 117388767

IUPAC3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid
SMILESCCc1cc(C(CC(=O)O)C2CC2)c(F)cc1F
InChIInChI=1S/C14H16F2O2/c1-2-8-5-11(13(16)7-12(8)15)10(6-14(17)18)9-3-4-9/h5,7,9-10H,2-4,6H2,1H3,(H,17,18)
InChIKeyGUXPNDFXGHBJFX-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.50
Rot. Bonds5

About 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid

3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid (PubChem CID 117388767) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid
PubChem CID117388767
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid
SMILESCCc1cc(C(CC(=O)O)C2CC2)c(F)cc1F
InChIInChI=1S/C14H16F2O2/c1-2-8-5-11(13(16)7-12(8)15)10(6-14(17)18)9-3-4-9/h5,7,9-10H,2-4,6H2,1H3,(H,17,18)
InChIKeyGUXPNDFXGHBJFX-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117433647
3-cyclopropyl-3-(4-ethoxy-2-fluorophenyl)propanoic acid
CID 117383667
4-(2-carboxy-1-cyclopropylethyl)-2,3,6-trifluorobenzoic acid
CID 117465468
3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117429853
3-cyclopropyl-3-(2-fluoro-3,5-dimethylphenyl)propanoic acid
CID 117344917
3-(3-chloro-2,4,5-trifluorophenyl)-3-cyclopropylpropanoic acid
CID 117107877
3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117348794
3-cyclopropyl-3-[2,3-difluoro-5-(fluoromethyl)phenyl]propanoic acid
CID 117398801
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321663
3-cyclopropyl-3-[5-[(dimethylamino)methyl]-3-fluoro-2-hydroxyphenyl]propanoic acid
CID 117451453

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid (CID 117388767) is 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid is CCc1cc(C(CC(=O)O)C2CC2)c(F)cc1F.
What is the InChIKey of 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid?
The InChIKey is GUXPNDFXGHBJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c1-2-8-5-11(13(16)7-12(8)15)10(6-14(17)18)9-3-4-9/h5,7,9-10H,2-4,6H2,1H3,(H,17,18).
What are the key properties of 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid?
3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid has a molecular weight of 254.28 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(5-ethyl-2,4-difluorophenyl)propanoic acid is sourced from PubChem (CID 117388767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).