2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone

C21H20F4N2O2 — CID 118024719

IUPAC2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CCc2cncc(-c3ccc(C(F)(F)F)c(F)c3)c21)N1CCOCC1
InChIInChI=1S/C21H20F4N2O2/c22-18-9-13(3-4-17(18)21(23,24)25)16-12-26-11-15-2-1-14(20(15)16)10-19(28)27-5-7-29-8-6-27/h3-4,9,11-12,14H,1-2,5-8,10H2
InChIKeyZBGYDQQWZZZKHK-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.19
Rot. Bonds3

About 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone

2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone (PubChem CID 118024719) has the molecular formula C21H20F4N2O2 and a molecular weight of 408.40 g/mol. Its IUPAC name is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone
PubChem CID118024719
Molecular FormulaC21H20F4N2O2
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC Name2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CCc2cncc(-c3ccc(C(F)(F)F)c(F)c3)c21)N1CCOCC1
InChIInChI=1S/C21H20F4N2O2/c22-18-9-13(3-4-17(18)21(23,24)25)16-12-26-11-15-2-1-14(20(15)16)10-19(28)27-5-7-29-8-6-27/h3-4,9,11-12,14H,1-2,5-8,10H2
InChIKeyZBGYDQQWZZZKHK-UHFFFAOYSA-N
XLogP4.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone (CID 118024719) is 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone is O=C(CC1CCc2cncc(-c3ccc(C(F)(F)F)c(F)c3)c21)N1CCOCC1.
What is the InChIKey of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone?
The InChIKey is ZBGYDQQWZZZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O2/c22-18-9-13(3-4-17(18)21(23,24)25)16-12-26-11-15-2-1-14(20(15)16)10-19(28)27-5-7-29-8-6-27/h3-4,9,11-12,14H,1-2,5-8,10H2.
What are the key properties of 2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone?
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-morpholin-4-ylethanone has a molecular weight of 408.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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]-1-morpholin-4-ylethanone is sourced from PubChem (CID 118024719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).