fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine

C20H22F3N3O4 — CID 143890808

About fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine

fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine (PubChem CID 143890808) has the molecular formula C20H22F3N3O4 and a molecular weight of 425.41 g/mol. Its IUPAC name is fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine.

Molecular Properties

• Compound Name: fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine
• PubChem CID: 143890808
• Molecular Formula: C20H22F3N3O4
• Molecular Weight: 425.41 g/mol
• Exact Mass: 425.16
• IUPAC Name: fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine
• SMILES: CNF.O=C(OF)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1COC3
• InChI: InChI=1S/C19H18F2N2O4.CH4FN/c20-15-6-12-16(14-9-26-8-11-2-1-5-22(11)17(14)15)23(10-3-4-10)7-13(18(12)24)19(25)27-21;1-3-2/h6-7,10-11H,1-5,8-9H2;3H,1H3/t11-;/m0./s1
• InChIKey: DFRIEDGINKTQCR-MERQFXBCSA-N
• XLogP: 3.11
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.41
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine?

The IUPAC name of fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine (CID 143890808) is fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine.

What is the SMILES notation for fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine?

The canonical SMILES for fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine is CNF.O=C(OF)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC[C@H]1COC3.

What is the InChIKey of fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine?

The InChIKey is DFRIEDGINKTQCR-MERQFXBCSA-N. The full InChI is InChI=1S/C19H18F2N2O4.CH4FN/c20-15-6-12-16(14-9-26-8-11-2-1-5-22(11)17(14)15)23(10-3-4-10)7-13(18(12)24)19(25)27-21;1-3-2/h6-7,10-11H,1-5,8-9H2;3H,1H3/t11-;/m0./s1.

What are the key properties of fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine?

fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine has a molecular weight of 425.41 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for fluoro (6S)-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate;N-fluoromethanamine is sourced from PubChem (CID 143890808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).