6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

C22H10F2OS — CID 135242828

IUPAC6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESFc1ccc2c(c1)oc1c2ccc2c1ccc1c3ccc(F)cc3sc12
InChIInChI=1S/C22H10F2OS/c23-11-1-3-13-15-5-8-18-16(21(15)25-19(13)9-11)6-7-17-14-4-2-12(24)10-20(14)26-22(17)18/h1-10H
InChIKeyJDMAZOCPLAPHIX-UHFFFAOYSA-N
MW360.38 g/mol
LogP7.39
Rot. Bonds

About 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (PubChem CID 135242828) has the molecular formula C22H10F2OS and a molecular weight of 360.38 g/mol. Its IUPAC name is 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

Compound Name6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
PubChem CID135242828
Molecular FormulaC22H10F2OS
Molecular Weight360.38 g/mol
Exact Mass360.04
IUPAC Name6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESFc1ccc2c(c1)oc1c2ccc2c1ccc1c3ccc(F)cc3sc12
InChIInChI=1S/C22H10F2OS/c23-11-1-3-13-15-5-8-18-16(21(15)25-19(13)9-11)6-7-17-14-4-2-12(24)10-20(14)26-22(17)18/h1-10H
InChIKeyJDMAZOCPLAPHIX-UHFFFAOYSA-N
XLogP7.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The IUPAC name of 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (CID 135242828) is 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.
What is the SMILES notation for 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The canonical SMILES for 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is Fc1ccc2c(c1)oc1c2ccc2c1ccc1c3ccc(F)cc3sc12.
What is the InChIKey of 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The InChIKey is JDMAZOCPLAPHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F2OS/c23-11-1-3-13-15-5-8-18-16(21(15)25-19(13)9-11)6-7-17-14-4-2-12(24)10-20(14)26-22(17)18/h1-10H.
What are the key properties of 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 360.38 g/mol, XLogP of 7.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-difluoro-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 135242828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).