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

C18H15F4NO2 — CID 71811526

IUPAC[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate
SMILESCCC(=O)OC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21
InChIInChI=1S/C18H15F4NO2/c1-2-17(24)25-16-6-4-11-12(8-23-9-13(11)16)10-3-5-14(15(19)7-10)18(20,21)22/h3,5,7-9,16H,2,4,6H2,1H3
InChIKeyUCODYVFDWIAUDQ-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.85
Rot. Bonds3

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

[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate (PubChem CID 71811526) has the molecular formula C18H15F4NO2 and a molecular weight of 353.32 g/mol. Its IUPAC name is [4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate.

Molecular Properties

Compound Name[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate
PubChem CID71811526
Molecular FormulaC18H15F4NO2
Molecular Weight353.32 g/mol
Exact Mass353.10
IUPAC Name[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate
SMILESCCC(=O)OC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21
InChIInChI=1S/C18H15F4NO2/c1-2-17(24)25-16-6-4-11-12(8-23-9-13(11)16)10-3-5-14(15(19)7-10)18(20,21)22/h3,5,7-9,16H,2,4,6H2,1H3
InChIKeyUCODYVFDWIAUDQ-UHFFFAOYSA-N
XLogP4.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate?
The IUPAC name of [4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate (CID 71811526) is [4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate.
What is the SMILES notation for [4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate?
The canonical SMILES for [4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate is CCC(=O)OC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21.
What is the InChIKey of [4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate?
The InChIKey is UCODYVFDWIAUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2/c1-2-17(24)25-16-6-4-11-12(8-23-9-13(11)16)10-3-5-14(15(19)7-10)18(20,21)22/h3,5,7-9,16H,2,4,6H2,1H3.
What are the key properties of [4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate?
[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate has a molecular weight of 353.32 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl] propanoate is sourced from PubChem (CID 71811526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).