2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid

C17H13F4NO2 — CID 118024283

IUPAC2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid
SMILESO=C(O)CC1CCc2cncc(-c3ccc(C(F)(F)F)c(F)c3)c21
InChIInChI=1S/C17H13F4NO2/c18-14-5-9(3-4-13(14)17(19,20)21)12-8-22-7-11-2-1-10(16(11)12)6-15(23)24/h3-5,7-8,10H,1-2,6H2,(H,23,24)
InChIKeyHDTDJVFCRVWIQE-UHFFFAOYSA-N
MW339.29 g/mol
LogP4.41
Rot. Bonds3

About 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid

2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid (PubChem CID 118024283) has the molecular formula C17H13F4NO2 and a molecular weight of 339.29 g/mol. Its IUPAC name is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid
PubChem CID118024283
Molecular FormulaC17H13F4NO2
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid
SMILESO=C(O)CC1CCc2cncc(-c3ccc(C(F)(F)F)c(F)c3)c21
InChIInChI=1S/C17H13F4NO2/c18-14-5-9(3-4-13(14)17(19,20)21)12-8-22-7-11-2-1-10(16(11)12)6-15(23)24/h3-5,7-8,10H,1-2,6H2,(H,23,24)
InChIKeyHDTDJVFCRVWIQE-UHFFFAOYSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid?
The IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid (CID 118024283) is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid?
The canonical SMILES for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid is O=C(O)CC1CCc2cncc(-c3ccc(C(F)(F)F)c(F)c3)c21.
What is the InChIKey of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid?
The InChIKey is HDTDJVFCRVWIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO2/c18-14-5-9(3-4-13(14)17(19,20)21)12-8-22-7-11-2-1-10(16(11)12)6-15(23)24/h3-5,7-8,10H,1-2,6H2,(H,23,24).
What are the key properties of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid?
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid has a molecular weight of 339.29 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid is sourced from PubChem (CID 118024283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).