2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene

C20H9F — CID 102112728

IUPAC2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
SMILESFc1cc2ccc3ccc4ccc5ccc1c1c5c4c3c21
InChIInChI=1S/C20H9F/c21-15-9-13-6-5-11-2-1-10-3-4-12-7-8-14(15)20-18(12)16(10)17(11)19(13)20/h1-9H
InChIKeyFYAMEYHNVTWUFP-UHFFFAOYSA-N
MW268.29 g/mol
LogP5.91
Rot. Bonds

About 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene

2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene (PubChem CID 102112728) has the molecular formula C20H9F and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene.

Molecular Properties

Compound Name2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
PubChem CID102112728
Molecular FormulaC20H9F
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
SMILESFc1cc2ccc3ccc4ccc5ccc1c1c5c4c3c21
InChIInChI=1S/C20H9F/c21-15-9-13-6-5-11-2-1-10-3-4-12-7-8-14(15)20-18(12)16(10)17(11)19(13)20/h1-9H
InChIKeyFYAMEYHNVTWUFP-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.29
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene with MolForge

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Related Compounds

4-fluoropyrene
CID 15263498
2-(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
CID 102308946
1-chloro-2-fluoropyrene
CID 139789951
coronene
CID 9115
(6-fluoropyren-2-yl)oxy-tri(propan-2-yl)silane
CID 173235389
1-propan-2-ylcoronene
CID 140649327
dodecacyclo[20.16.0.02,19.03,16.04,13.05,38.06,35.07,12.08,33.024,37.027,36.029,34]octatriaconta-1(38),2(19),3(16),4(13),5,7,9,11,14,17,20,22,24(37),25,27(36),28,30,32,34-nonadecaene
CID 21082989
2-(bromomethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
CID 15423027
1-tert-butylcoronene
CID 23533016
decacyclo[27.5.2.02,19.04,17.05,10.011,16.020,33.023,32.026,31.030,34]hexatriaconta-1,3,5,7,9,11,13,15,17,19,21,23(32),24,26(31),27,29,33,35-octadecaene
CID 102147031
undecacyclo[30.6.2.02,11.04,9.012,37.015,36.018,35.019,28.021,26.029,34.033,38]tetraconta-1(38),2,4,6,8,10,12(37),13,15(36),16,18(35),19,21,23,25,27,29(34),30,32,39-icosaene
CID 21083012
2,3,8,9-tetrabromohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
CID 11353569

Frequently Asked Questions

What is the IUPAC name of 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene?
The IUPAC name of 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene (CID 102112728) is 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene.
What is the SMILES notation for 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene?
The canonical SMILES for 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene is Fc1cc2ccc3ccc4ccc5ccc1c1c5c4c3c21.
What is the InChIKey of 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene?
The InChIKey is FYAMEYHNVTWUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F/c21-15-9-13-6-5-11-2-1-10-3-4-12-7-8-14(15)20-18(12)16(10)17(11)19(13)20/h1-9H.
What are the key properties of 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene?
2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene has a molecular weight of 268.29 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene is sourced from PubChem (CID 102112728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).