6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene

C22H17F — CID 12034214

IUPAC6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene
SMILESFc1ccc2c(c1)CCc1ccc3c(c1-2)-c1ccccc1CC3
InChIInChI=1S/C22H17F/c23-18-11-12-20-17(13-18)10-9-16-8-7-15-6-5-14-3-1-2-4-19(14)21(15)22(16)20/h1-4,7-8,11-13H,5-6,9-10H2
InChIKeyIJUUHZYAYGKROS-UHFFFAOYSA-N
MW300.38 g/mol
LogP5.36
Rot. Bonds

About 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene

6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene (PubChem CID 12034214) has the molecular formula C22H17F and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene.

Molecular Properties

Compound Name6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene
PubChem CID12034214
Molecular FormulaC22H17F
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene
SMILESFc1ccc2c(c1)CCc1ccc3c(c1-2)-c1ccccc1CC3
InChIInChI=1S/C22H17F/c23-18-11-12-20-17(13-18)10-9-16-8-7-15-6-5-14-3-1-2-4-19(14)21(15)22(16)20/h1-4,7-8,11-13H,5-6,9-10H2
InChIKeyIJUUHZYAYGKROS-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene?
The IUPAC name of 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene (CID 12034214) is 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene.
What is the SMILES notation for 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene?
The canonical SMILES for 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene is Fc1ccc2c(c1)CCc1ccc3c(c1-2)-c1ccccc1CC3.
What is the InChIKey of 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene?
The InChIKey is IJUUHZYAYGKROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F/c23-18-11-12-20-17(13-18)10-9-16-8-7-15-6-5-14-3-1-2-4-19(14)21(15)22(16)20/h1-4,7-8,11-13H,5-6,9-10H2.
What are the key properties of 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene?
6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene has a molecular weight of 300.38 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17,19,21-nonaene is sourced from PubChem (CID 12034214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).