[1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol

C23H26FNO2 — CID 59827049

IUPAC[1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(C[C@H]2C[C@@H]3c4ccccc4Cc4ccc(F)cc4[C@@H]3O2)C1
InChIInChI=1S/C23H26FNO2/c24-18-6-5-17-9-16-3-1-2-4-20(16)22-11-19(27-23(22)21(17)10-18)13-25-8-7-15(12-25)14-26/h1-6,10,15,19,22-23,26H,7-9,11-14H2/t15?,19-,22-,23+/m1/s1
InChIKeyGUYMGRVJNYYCOB-AFLMANCJSA-N
MW367.46 g/mol
LogP3.66
Rot. Bonds3

About [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol

[1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 59827049) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID59827049
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name[1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(C[C@H]2C[C@@H]3c4ccccc4Cc4ccc(F)cc4[C@@H]3O2)C1
InChIInChI=1S/C23H26FNO2/c24-18-6-5-17-9-16-3-1-2-4-20(16)22-11-19(27-23(22)21(17)10-18)13-25-8-7-15(12-25)14-26/h1-6,10,15,19,22-23,26H,7-9,11-14H2/t15?,19-,22-,23+/m1/s1
InChIKeyGUYMGRVJNYYCOB-AFLMANCJSA-N
XLogP3.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol (CID 59827049) is [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol is OCC1CCN(C[C@H]2C[C@@H]3c4ccccc4Cc4ccc(F)cc4[C@@H]3O2)C1.
What is the InChIKey of [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is GUYMGRVJNYYCOB-AFLMANCJSA-N. The full InChI is InChI=1S/C23H26FNO2/c24-18-6-5-17-9-16-3-1-2-4-20(16)22-11-19(27-23(22)21(17)10-18)13-25-8-7-15(12-25)14-26/h1-6,10,15,19,22-23,26H,7-9,11-14H2/t15?,19-,22-,23+/m1/s1.
What are the key properties of [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol?
[1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 367.46 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2R,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 59827049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).