(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one

C21H22FNO2 — CID 169173845

IUPAC(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one
SMILESO=C1CCOc2ccccc2-c2cccc(c2F)C[C@H]2CCCCN12
InChIInChI=1S/C21H22FNO2/c22-21-15-6-5-9-18(21)17-8-1-2-10-19(17)25-13-11-20(24)23-12-4-3-7-16(23)14-15/h1-2,5-6,8-10,16H,3-4,7,11-14H2/t16-/m1/s1
InChIKeyVOWRAWJDDJFHEA-MRXNPFEDSA-N
MW339.41 g/mol
LogP4.20
Rot. Bonds

About (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one

(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one (PubChem CID 169173845) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one.

Molecular Properties

Compound Name(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one
PubChem CID169173845
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one
SMILESO=C1CCOc2ccccc2-c2cccc(c2F)C[C@H]2CCCCN12
InChIInChI=1S/C21H22FNO2/c22-21-15-6-5-9-18(21)17-8-1-2-10-19(17)25-13-11-20(24)23-12-4-3-7-16(23)14-15/h1-2,5-6,8-10,16H,3-4,7,11-14H2/t16-/m1/s1
InChIKeyVOWRAWJDDJFHEA-MRXNPFEDSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one?
The IUPAC name of (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one (CID 169173845) is (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one.
What is the SMILES notation for (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one?
The canonical SMILES for (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one is O=C1CCOc2ccccc2-c2cccc(c2F)C[C@H]2CCCCN12.
What is the InChIKey of (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one?
The InChIKey is VOWRAWJDDJFHEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22FNO2/c22-21-15-6-5-9-18(21)17-8-1-2-10-19(17)25-13-11-20(24)23-12-4-3-7-16(23)14-15/h1-2,5-6,8-10,16H,3-4,7,11-14H2/t16-/m1/s1.
What are the key properties of (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one?
(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one has a molecular weight of 339.41 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one is sourced from PubChem (CID 169173845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).