1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone

C19H15F2NO2 — CID 171078931

IUPAC1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone
SMILESC=CCc1c(Oc2ccc(F)c(C(C)=O)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C19H15F2NO2/c1-3-4-14-13-7-8-22-18(13)10-17(21)19(14)24-12-5-6-16(20)15(9-12)11(2)23/h3,5-10,22H,1,4H2,2H3
InChIKeyYUVXOFFTNKEMMT-UHFFFAOYSA-N
MW327.33 g/mol
LogP5.17
Rot. Bonds5

About 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone

1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone (PubChem CID 171078931) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone
PubChem CID171078931
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone
SMILESC=CCc1c(Oc2ccc(F)c(C(C)=O)c2)c(F)cc2[nH]ccc12
InChIInChI=1S/C19H15F2NO2/c1-3-4-14-13-7-8-22-18(13)10-17(21)19(14)24-12-5-6-16(20)15(9-12)11(2)23/h3,5-10,22H,1,4H2,2H3
InChIKeyYUVXOFFTNKEMMT-UHFFFAOYSA-N
XLogP5.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.33
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone (CID 171078931) is 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone is C=CCc1c(Oc2ccc(F)c(C(C)=O)c2)c(F)cc2[nH]ccc12.
What is the InChIKey of 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone?
The InChIKey is YUVXOFFTNKEMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2/c1-3-4-14-13-7-8-22-18(13)10-17(21)19(14)24-12-5-6-16(20)15(9-12)11(2)23/h3,5-10,22H,1,4H2,2H3.
What are the key properties of 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone?
1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone has a molecular weight of 327.33 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[(6-fluoro-4-prop-2-enyl-1H-indol-5-yl)oxy]phenyl]ethanone is sourced from PubChem (CID 171078931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).