1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate

C26H25F2NO3 — CID 54316819

IUPAC1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate
SMILESCC(OC(=O)C(C=Cc1ccc(F)cc1)C(C)C)c1cccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C26H25F2NO3/c1-17(2)23(16-9-19-7-10-20(27)11-8-19)26(30)31-18(3)24-5-4-6-25(29-24)32-22-14-12-21(28)13-15-22/h4-18,23H,1-3H3
InChIKeySOUNEVCPDJZASF-UHFFFAOYSA-N
MW437.49 g/mol
LogP6.74
Rot. Bonds8

About 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate

1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate (PubChem CID 54316819) has the molecular formula C26H25F2NO3 and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate.

Molecular Properties

Compound Name1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate
PubChem CID54316819
Molecular FormulaC26H25F2NO3
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Name1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate
SMILESCC(OC(=O)C(C=Cc1ccc(F)cc1)C(C)C)c1cccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C26H25F2NO3/c1-17(2)23(16-9-19-7-10-20(27)11-8-19)26(30)31-18(3)24-5-4-6-25(29-24)32-22-14-12-21(28)13-15-22/h4-18,23H,1-3H3
InChIKeySOUNEVCPDJZASF-UHFFFAOYSA-N
XLogP6.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.49
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate with MolForge

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Related Compounds

1-(4-fluoro-3-phenoxyphenyl)prop-2-ynyl (E)-4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate
CID 88778605
1-(6-phenoxy-2-pyridinyl)ethyl 2-[[(Z)-3-chlorobut-2-enyl]amino]-3-methylbutanoate
CID 88718056
[cyano-[6-(2-fluorophenoxy)-2-pyridinyl]methyl] 3-methyl-2-naphthalen-2-ylbutanoate
CID 54418341
trans-[2,2,2-trifluoro-1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 18609794
(3-phenoxyphenyl)methyl (E)-4-(3-fluorophenyl)-2-propan-2-ylbut-3-enoate
CID 12895330
[cyano-[6-(4-fluorophenoxy)-2-pyridinyl]methyl] 2,2-dimethyl-3-[(2-methylpropoxyamino)methylidene]cyclopropane-1-carboxylate
CID 57135348
1-(6-phenoxy-2-pyridinyl)ethanethiol
CID 13002991
1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 6603738
1-(6-phenoxy-2-pyridinyl)prop-2-ynyl 5,5-dichloro-3-methyl-2-propan-2-ylpent-4-enoate
CID 88754147
(E)-3-(4-fluorophenyl)-N-[1-(3-pyridin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 22473280
1-(6-phenoxy-2-pyridinyl)prop-2-ynyl 2-[[(Z)-3-chlorobut-2-enyl]amino]-3-methylbutanoate
CID 88718090
[cyano-(6-phenoxy-2-pyridinyl)methyl] 2-anilino-3-methylbutanoate
CID 70590647

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate?
The IUPAC name of 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate (CID 54316819) is 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate.
What is the SMILES notation for 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate?
The canonical SMILES for 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate is CC(OC(=O)C(C=Cc1ccc(F)cc1)C(C)C)c1cccc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate?
The InChIKey is SOUNEVCPDJZASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO3/c1-17(2)23(16-9-19-7-10-20(27)11-8-19)26(30)31-18(3)24-5-4-6-25(29-24)32-22-14-12-21(28)13-15-22/h4-18,23H,1-3H3.
What are the key properties of 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate?
1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate has a molecular weight of 437.49 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenoxy)-2-pyridinyl]ethyl 4-(4-fluorophenyl)-2-propan-2-ylbut-3-enoate is sourced from PubChem (CID 54316819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).