10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one

C16H13FN2O2 — CID 86273565

IUPAC10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one
SMILESO=C1COc2c1ccc1c2c2ncccc2n1CCCF
InChIInChI=1S/C16H13FN2O2/c17-6-2-8-19-11-5-4-10-13(20)9-21-16(10)14(11)15-12(19)3-1-7-18-15/h1,3-5,7H,2,6,8-9H2
InChIKeyAAYYBABEIRARKT-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.12
Rot. Bonds3

About 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one

10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one (PubChem CID 86273565) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one.

Molecular Properties

Compound Name10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one
PubChem CID86273565
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one
SMILESO=C1COc2c1ccc1c2c2ncccc2n1CCCF
InChIInChI=1S/C16H13FN2O2/c17-6-2-8-19-11-5-4-10-13(20)9-21-16(10)14(11)15-12(19)3-1-7-18-15/h1,3-5,7H,2,6,8-9H2
InChIKeyAAYYBABEIRARKT-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one?
The IUPAC name of 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one (CID 86273565) is 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one.
What is the SMILES notation for 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one?
The canonical SMILES for 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one is O=C1COc2c1ccc1c2c2ncccc2n1CCCF.
What is the InChIKey of 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one?
The InChIKey is AAYYBABEIRARKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-6-2-8-19-11-5-4-10-13(20)9-21-16(10)14(11)15-12(19)3-1-7-18-15/h1,3-5,7H,2,6,8-9H2.
What are the key properties of 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one?
10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one has a molecular weight of 284.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-fluoropropyl)-3-oxa-10,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-5-one is sourced from PubChem (CID 86273565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).