5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one

C17H22FNO2 — CID 82173622

IUPAC5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(F)cc(C(O)C3CCCCC3)cc21
InChIInChI=1S/C17H22FNO2/c1-2-12-13-8-11(9-14(18)15(13)19-17(12)21)16(20)10-6-4-3-5-7-10/h8-10,12,16,20H,2-7H2,1H3,(H,19,21)
InChIKeyUMVMLTBJSWGCOB-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.89
Rot. Bonds3

About 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one

5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 82173622) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
PubChem CID82173622
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c(F)cc(C(O)C3CCCCC3)cc21
InChIInChI=1S/C17H22FNO2/c1-2-12-13-8-11(9-14(18)15(13)19-17(12)21)16(20)10-6-4-3-5-7-10/h8-10,12,16,20H,2-7H2,1H3,(H,19,21)
InChIKeyUMVMLTBJSWGCOB-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one (CID 82173622) is 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c(F)cc(C(O)C3CCCCC3)cc21.
What is the InChIKey of 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is UMVMLTBJSWGCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-2-12-13-8-11(9-14(18)15(13)19-17(12)21)16(20)10-6-4-3-5-7-10/h8-10,12,16,20H,2-7H2,1H3,(H,19,21).
What are the key properties of 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one?
5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 291.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(hydroxy)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).