7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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

C23H10F4O2 — CID 70938417

IUPAC7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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
SMILESFc1ccc2oc3c(ccc4c3ccc3c5cc(C(F)(F)F)ccc5oc34)c2c1
InChIInChI=1S/C23H10F4O2/c24-12-2-8-20-18(10-12)16-6-4-13-14(22(16)29-20)3-5-15-17-9-11(23(25,26)27)1-7-19(17)28-21(13)15/h1-10H
InChIKeyAJGXYKAXBBZRHX-UHFFFAOYSA-N
MW394.32 g/mol
LogP7.80
Rot. Bonds

About 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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

7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 70938417) has the molecular formula C23H10F4O2 and a molecular weight of 394.32 g/mol. Its IUPAC name is 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 Name7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 CID70938417
Molecular FormulaC23H10F4O2
Molecular Weight394.32 g/mol
Exact Mass394.06
IUPAC Name7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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
SMILESFc1ccc2oc3c(ccc4c3ccc3c5cc(C(F)(F)F)ccc5oc34)c2c1
InChIInChI=1S/C23H10F4O2/c24-12-2-8-20-18(10-12)16-6-4-13-14(22(16)29-20)3-5-15-17-9-11(23(25,26)27)1-7-19(17)28-21(13)15/h1-10H
InChIKeyAJGXYKAXBBZRHX-UHFFFAOYSA-N
XLogP7.80
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.32
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 70938417) is 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 Fc1ccc2oc3c(ccc4c3ccc3c5cc(C(F)(F)F)ccc5oc34)c2c1.
What is the InChIKey of 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 AJGXYKAXBBZRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H10F4O2/c24-12-2-8-20-18(10-12)16-6-4-13-14(22(16)29-20)3-5-15-17-9-11(23(25,26)27)1-7-19(17)28-21(13)15/h1-10H.
What are the key properties of 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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?
7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 394.32 g/mol, XLogP of 7.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[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 70938417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).