6,18-bis(trifluoromethyl)-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

C24H10F6OS — CID 135243470

IUPAC6,18-bis(trifluoromethyl)-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
SMILESFC(F)(F)c1ccc2c(c1)oc1c2ccc2c1ccc1c3ccc(C(F)(F)F)cc3sc12
InChIInChI=1S/C24H10F6OS/c25-23(26,27)11-1-3-13-15-5-8-18-16(21(15)31-19(13)9-11)6-7-17-14-4-2-12(24(28,29)30)10-20(14)32-22(17)18/h1-10H
InChIKeyRCBBVKPQMBIBEP-UHFFFAOYSA-N
MW460.40 g/mol
LogP9.14
Rot. Bonds

About 6,18-bis(trifluoromethyl)-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-bis(trifluoromethyl)-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 135243470) has the molecular formula C24H10F6OS and a molecular weight of 460.40 g/mol. Its IUPAC name is 6,18-bis(trifluoromethyl)-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-bis(trifluoromethyl)-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 CID135243470
Molecular FormulaC24H10F6OS
Molecular Weight460.40 g/mol
Exact Mass460.04
IUPAC Name6,18-bis(trifluoromethyl)-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
SMILESFC(F)(F)c1ccc2c(c1)oc1c2ccc2c1ccc1c3ccc(C(F)(F)F)cc3sc12
InChIInChI=1S/C24H10F6OS/c25-23(26,27)11-1-3-13-15-5-8-18-16(21(15)31-19(13)9-11)6-7-17-14-4-2-12(24(28,29)30)10-20(14)32-22(17)18/h1-10H
InChIKeyRCBBVKPQMBIBEP-UHFFFAOYSA-N
XLogP9.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.40
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,18-bis(trifluoromethyl)-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

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Frequently Asked Questions

What is the IUPAC name of 6,18-bis(trifluoromethyl)-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-bis(trifluoromethyl)-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 135243470) is 6,18-bis(trifluoromethyl)-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-bis(trifluoromethyl)-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-bis(trifluoromethyl)-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 FC(F)(F)c1ccc2c(c1)oc1c2ccc2c1ccc1c3ccc(C(F)(F)F)cc3sc12.
What is the InChIKey of 6,18-bis(trifluoromethyl)-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 RCBBVKPQMBIBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10F6OS/c25-23(26,27)11-1-3-13-15-5-8-18-16(21(15)31-19(13)9-11)6-7-17-14-4-2-12(24(28,29)30)10-20(14)32-22(17)18/h1-10H.
What are the key properties of 6,18-bis(trifluoromethyl)-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-bis(trifluoromethyl)-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 460.40 g/mol, XLogP of 9.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-bis(trifluoromethyl)-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 135243470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).