3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide

C16H16FN3O2 — CID 126637803

IUPAC3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
SMILESNC(=O)c1cc2c(n1CCF)-c1ccncc1OC21CCC1
InChIInChI=1S/C16H16FN3O2/c17-5-7-20-12(15(18)21)8-11-14(20)10-2-6-19-9-13(10)22-16(11)3-1-4-16/h2,6,8-9H,1,3-5,7H2,(H2,18,21)
InChIKeyAFQAFERZBGFZRQ-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.39
Rot. Bonds3

About 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide

3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide (PubChem CID 126637803) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
PubChem CID126637803
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide
SMILESNC(=O)c1cc2c(n1CCF)-c1ccncc1OC21CCC1
InChIInChI=1S/C16H16FN3O2/c17-5-7-20-12(15(18)21)8-11-14(20)10-2-6-19-9-13(10)22-16(11)3-1-4-16/h2,6,8-9H,1,3-5,7H2,(H2,18,21)
InChIKeyAFQAFERZBGFZRQ-UHFFFAOYSA-N
XLogP2.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide?
The IUPAC name of 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide (CID 126637803) is 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide.
What is the SMILES notation for 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide?
The canonical SMILES for 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide is NC(=O)c1cc2c(n1CCF)-c1ccncc1OC21CCC1.
What is the InChIKey of 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide?
The InChIKey is AFQAFERZBGFZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-5-7-20-12(15(18)21)8-11-14(20)10-2-6-19-9-13(10)22-16(11)3-1-4-16/h2,6,8-9H,1,3-5,7H2,(H2,18,21).
What are the key properties of 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide?
3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)spiro[8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-7,1'-cyclobutane]-4-carboxamide is sourced from PubChem (CID 126637803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).