7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene

C20H7F5S — CID 101464264

IUPAC7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene
SMILESFc1cc2cc3cc4cc5c(F)c(F)c(F)c(F)c5cc4cc3cc2s1
InChIInChI=1S/C20H7F5S/c21-16-7-12-3-8-1-9-4-13-14(18(23)20(25)19(24)17(13)22)5-10(9)2-11(8)6-15(12)26-16/h1-7H
InChIKeyHZZSZYGTAOPFPA-UHFFFAOYSA-N
MW374.33 g/mol
LogP7.06
Rot. Bonds

About 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene

7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene (PubChem CID 101464264) has the molecular formula C20H7F5S and a molecular weight of 374.33 g/mol. Its IUPAC name is 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene.

Molecular Properties

Compound Name7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene
PubChem CID101464264
Molecular FormulaC20H7F5S
Molecular Weight374.33 g/mol
Exact Mass374.02
IUPAC Name7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene
SMILESFc1cc2cc3cc4cc5c(F)c(F)c(F)c(F)c5cc4cc3cc2s1
InChIInChI=1S/C20H7F5S/c21-16-7-12-3-8-1-9-4-13-14(18(23)20(25)19(24)17(13)22)5-10(9)2-11(8)6-15(12)26-16/h1-7H
InChIKeyHZZSZYGTAOPFPA-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.33
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene?
The IUPAC name of 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene (CID 101464264) is 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene.
What is the SMILES notation for 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene?
The canonical SMILES for 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene is Fc1cc2cc3cc4cc5c(F)c(F)c(F)c(F)c5cc4cc3cc2s1.
What is the InChIKey of 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene?
The InChIKey is HZZSZYGTAOPFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H7F5S/c21-16-7-12-3-8-1-9-4-13-14(18(23)20(25)19(24)17(13)22)5-10(9)2-11(8)6-15(12)26-16/h1-7H.
What are the key properties of 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene?
7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene has a molecular weight of 374.33 g/mol, XLogP of 7.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16,17,18,19-pentafluoro-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene is sourced from PubChem (CID 101464264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).