2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene

C18H9F — CID 154709573

IUPAC2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene
SMILESFc1c2c3ccccc3c2cc2c3ccccc3c12
InChIInChI=1S/C18H9F/c19-18-16-12-7-3-1-5-10(12)14(16)9-15-11-6-2-4-8-13(11)17(15)18/h1-9H
InChIKeyPMXGGXORKFGRTR-UHFFFAOYSA-N
MW244.27 g/mol
LogP5.31
Rot. Bonds

About 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene

2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene (PubChem CID 154709573) has the molecular formula C18H9F and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene.

Molecular Properties

Compound Name2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene
PubChem CID154709573
Molecular FormulaC18H9F
Molecular Weight244.27 g/mol
Exact Mass244.07
IUPAC Name2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene
SMILESFc1c2c3ccccc3c2cc2c3ccccc3c12
InChIInChI=1S/C18H9F/c19-18-16-12-7-3-1-5-10(12)14(16)9-15-11-6-2-4-8-13(11)17(15)18/h1-9H
InChIKeyPMXGGXORKFGRTR-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.27
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene with MolForge

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Related Compounds

nonadecacyclo[78.4.0.02,73.03,8.09,66.010,37.011,16.017,30.018,23.024,29.031,36.038,65.039,44.045,58.046,51.052,57.059,64.067,72.074,79]tetraoctaconta-1(84),2(73),3,5,7,9,11,13,15,17(30),18,20,22,24,26,28,31,33,35,37,39,41,43,45(58),46,48,50,52,54,56,59,61,63,65,67,69,71,74,76,78,80,82-dotetracontaene
CID 162412244
nonadecacyclo[38.18.2.02,55.05,54.06,11.012,53.015,52.016,49.019,48.020,25.026,47.029,46.030,43.033,42.034,39.041,58.044,57.045,50.051,56]hexaconta-1,3,5(54),6,8,10,12(53),13,15,17,19(48),20,22,24,26(47),27,29,31,33(42),34,36,38,40,43,45,49,51,55,57,59-triacontaene
CID 58800430
ethane;pentakis(hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene)
CID 162231469
nonacyclo[16.14.1.12,13.04,12.05,10.022,33.023,31.025,30.017,34]tetratriaconta-1(32),2,4(12),5,7,9,13,15,17(34),18(33),19,21,23(31),25,27,29-hexadecaene-11,24-dione
CID 139044784
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
4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 164808812
nonacyclo[20.6.4.02,7.08,30.09,14.015,31.016,21.023,28.029,32]dotriaconta-1(29),2,4,6,8(30),9,11,13,15(31),16,18,20,22(32),23,25,27-hexadecaene
CID 102166669
6,7,19,20,33,34,46,47-octamethyloctacosacyclo[26.26.14.1448,58.131,68.04,56.05,59.08,60.09,14.015,61.017,63.018,66.021,67.022,27.036,41.049,54.165,69.032,75.035,76.042,77.044,79.045,82.055,83.057,81.062,70.064,72.071,80.073,78.074,84]tetraoctaconta-1(55),2,4,6,8(60),9,11,13,15,17,19,21(67),22,24,26,28(68),29,31,33,35(76),36,38,40,42,44,46,48(83),49,51,53,56,58,61,63,65,69(84),70,72,74,77,79,81-dotetracontaene
CID 159123818
8,22-bis(2,6-difluorophenyl)octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 58309419
13,14,15,16-tetrafluoro-9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
CID 59805338
undecacyclo[30.6.2.02,7.08,37.09,14.015,36.018,35.019,24.025,34.026,31.033,38]tetraconta-1(38),2,4,6,8(37),9,11,13,15(36),16,18(35),19,21,23,25(34),26,28,30,32,39-icosaene
CID 21083049
hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;methanethiol
CID 159766512

Frequently Asked Questions

What is the IUPAC name of 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene?
The IUPAC name of 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene (CID 154709573) is 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene.
What is the SMILES notation for 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene?
The canonical SMILES for 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene is Fc1c2c3ccccc3c2cc2c3ccccc3c12.
What is the InChIKey of 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene?
The InChIKey is PMXGGXORKFGRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F/c19-18-16-12-7-3-1-5-10(12)14(16)9-15-11-6-2-4-8-13(11)17(15)18/h1-9H.
What are the key properties of 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene?
2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene has a molecular weight of 244.27 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1(12),2,4,6,8,10,13,15,17-nonaene is sourced from PubChem (CID 154709573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).