(10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one

C24H27FO3 — CID 59465371

IUPAC(10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
SMILESCCC1(CC)OC[C@H](CC[C@H]2C(=O)c3cc(F)ccc3Cc3ccccc32)O1
InChIInChI=1S/C24H27FO3/c1-3-24(4-2)27-15-19(28-24)11-12-21-20-8-6-5-7-16(20)13-17-9-10-18(25)14-22(17)23(21)26/h5-10,14,19,21H,3-4,11-13,15H2,1-2H3/t19-,21+/m0/s1
InChIKeyFNWJRFMCUYHSTI-PZJWPPBQSA-N
MW382.48 g/mol
LogP5.41
Rot. Bonds5

About (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one

(10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one (PubChem CID 59465371) has the molecular formula C24H27FO3 and a molecular weight of 382.48 g/mol. Its IUPAC name is (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one.

Molecular Properties

Compound Name(10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
PubChem CID59465371
Molecular FormulaC24H27FO3
Molecular Weight382.48 g/mol
Exact Mass382.19
IUPAC Name(10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
SMILESCCC1(CC)OC[C@H](CC[C@H]2C(=O)c3cc(F)ccc3Cc3ccccc32)O1
InChIInChI=1S/C24H27FO3/c1-3-24(4-2)27-15-19(28-24)11-12-21-20-8-6-5-7-16(20)13-17-9-10-18(25)14-22(17)23(21)26/h5-10,14,19,21H,3-4,11-13,15H2,1-2H3/t19-,21+/m0/s1
InChIKeyFNWJRFMCUYHSTI-PZJWPPBQSA-N
XLogP5.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
The IUPAC name of (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one (CID 59465371) is (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one.
What is the SMILES notation for (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
The canonical SMILES for (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one is CCC1(CC)OC[C@H](CC[C@H]2C(=O)c3cc(F)ccc3Cc3ccccc32)O1.
What is the InChIKey of (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
The InChIKey is FNWJRFMCUYHSTI-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H27FO3/c1-3-24(4-2)27-15-19(28-24)11-12-21-20-8-6-5-7-16(20)13-17-9-10-18(25)14-22(17)23(21)26/h5-10,14,19,21H,3-4,11-13,15H2,1-2H3/t19-,21+/m0/s1.
What are the key properties of (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one?
(10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one has a molecular weight of 382.48 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one is sourced from PubChem (CID 59465371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).