1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid

C24H23F5O2 — CID 153340317

IUPAC1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
SMILESC=CC1=C(c2ccc(F)cc2F)CC(F)(F)C1.Cc1cc(CCC(=O)O)cc(F)c1C
InChIInChI=1S/C13H10F4.C11H13FO2/c1-2-8-6-13(16,17)7-11(8)10-4-3-9(14)5-12(10)15;1-7-5-9(3-4-11(13)14)6-10(12)8(7)2/h2-5H,1,6-7H2;5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyNDCYLUDCKFBEFP-UHFFFAOYSA-N
MW438.44 g/mol
LogP6.79
Rot. Bonds5

About 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid

1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid (PubChem CID 153340317) has the molecular formula C24H23F5O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
PubChem CID153340317
Molecular FormulaC24H23F5O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC Name1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
SMILESC=CC1=C(c2ccc(F)cc2F)CC(F)(F)C1.Cc1cc(CCC(=O)O)cc(F)c1C
InChIInChI=1S/C13H10F4.C11H13FO2/c1-2-8-6-13(16,17)7-11(8)10-4-3-9(14)5-12(10)15;1-7-5-9(3-4-11(13)14)6-10(12)8(7)2/h2-5H,1,6-7H2;5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyNDCYLUDCKFBEFP-UHFFFAOYSA-N
XLogP6.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946
3-[4-[[2-(2,4-difluorophenyl)-4,4-difluorocyclopenten-1-yl]methoxy]-3-methylphenyl]propanoic acid
CID 162702631
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
CID 144504832
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
3-(3-bromo-4-fluoro-5-methylphenyl)propanoic acid
CID 84710392
N,N-dimethyl-3-(3,4,5-trimethylphenyl)propanamide;3-(3,4,5-trimethylphenyl)propanoic acid
CID 161469561
3-(4-bromo-3,5-dimethylphenyl)propanoic acid
CID 84805494
3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid
CID 117289030
3-(3-fluoro-4-methylsulfonylphenyl)propanoic acid
CID 84803162
3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium
CID 59858101
3-(3,5-difluorophenyl)propanoic acid;fluorobenzene
CID 144589467

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid?
The IUPAC name of 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid (CID 153340317) is 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid is C=CC1=C(c2ccc(F)cc2F)CC(F)(F)C1.Cc1cc(CCC(=O)O)cc(F)c1C.
What is the InChIKey of 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid?
The InChIKey is NDCYLUDCKFBEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4.C11H13FO2/c1-2-8-6-13(16,17)7-11(8)10-4-3-9(14)5-12(10)15;1-7-5-9(3-4-11(13)14)6-10(12)8(7)2/h2-5H,1,6-7H2;5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid?
1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid has a molecular weight of 438.44 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-4,4-difluorocyclopenten-1-yl)-2,4-difluorobenzene;3-(3-fluoro-4,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 153340317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).