4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine

C28H38FNO2 — CID 143368927

IUPAC4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine
SMILESCOCCC1CN(C[C@H](C)CC[C@@H]2c3ccccc3Cc3ccc(F)cc3C2C)CCO1
InChIInChI=1S/C28H38FNO2/c1-20(18-30-13-15-32-25(19-30)12-14-31-3)8-11-26-21(2)28-17-24(29)10-9-23(28)16-22-6-4-5-7-27(22)26/h4-7,9-10,17,20-21,25-26H,8,11-16,18-19H2,1-3H3/t20-,21?,25?,26+/m1/s1
InChIKeyVFKVTXZDBJCOMX-JAJILPCRSA-N
MW439.62 g/mol
LogP5.77
Rot. Bonds8

About 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine

4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine (PubChem CID 143368927) has the molecular formula C28H38FNO2 and a molecular weight of 439.62 g/mol. Its IUPAC name is 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine.

Molecular Properties

Compound Name4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine
PubChem CID143368927
Molecular FormulaC28H38FNO2
Molecular Weight439.62 g/mol
Exact Mass439.29
IUPAC Name4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine
SMILESCOCCC1CN(C[C@H](C)CC[C@@H]2c3ccccc3Cc3ccc(F)cc3C2C)CCO1
InChIInChI=1S/C28H38FNO2/c1-20(18-30-13-15-32-25(19-30)12-14-31-3)8-11-26-21(2)28-17-24(29)10-9-23(28)16-22-6-4-5-7-27(22)26/h4-7,9-10,17,20-21,25-26H,8,11-16,18-19H2,1-3H3/t20-,21?,25?,26+/m1/s1
InChIKeyVFKVTXZDBJCOMX-JAJILPCRSA-N
XLogP5.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.62
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine?
The IUPAC name of 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine (CID 143368927) is 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine.
What is the SMILES notation for 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine?
The canonical SMILES for 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine is COCCC1CN(C[C@H](C)CC[C@@H]2c3ccccc3Cc3ccc(F)cc3C2C)CCO1.
What is the InChIKey of 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine?
The InChIKey is VFKVTXZDBJCOMX-JAJILPCRSA-N. The full InChI is InChI=1S/C28H38FNO2/c1-20(18-30-13-15-32-25(19-30)12-14-31-3)8-11-26-21(2)28-17-24(29)10-9-23(28)16-22-6-4-5-7-27(22)26/h4-7,9-10,17,20-21,25-26H,8,11-16,18-19H2,1-3H3/t20-,21?,25?,26+/m1/s1.
What are the key properties of 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine?
4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine has a molecular weight of 439.62 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-[(9S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]-2-methylbutyl]-2-(2-methoxyethyl)morpholine is sourced from PubChem (CID 143368927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).