6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene

C19H18FN — CID 140837740

IUPAC6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene
SMILESCC1C=CC2=C(C1F)C(C)(C)c1cccc3ccnc2c13
InChIInChI=1S/C19H18FN/c1-11-7-8-13-16(17(11)20)19(2,3)14-6-4-5-12-9-10-21-18(13)15(12)14/h4-11,17H,1-3H3
InChIKeyBCXNHIJVZVGJFV-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.82
Rot. Bonds

About 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene

6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene (PubChem CID 140837740) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene.

Molecular Properties

Compound Name6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene
PubChem CID140837740
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene
SMILESCC1C=CC2=C(C1F)C(C)(C)c1cccc3ccnc2c13
InChIInChI=1S/C19H18FN/c1-11-7-8-13-16(17(11)20)19(2,3)14-6-4-5-12-9-10-21-18(13)15(12)14/h4-11,17H,1-3H3
InChIKeyBCXNHIJVZVGJFV-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene with MolForge

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Related Compounds

N-(8,8-dimethyl-3,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-8,8-dimethyl-N-phenyl-3,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-amine
CID 170523808
6-fluoro-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 134201762
(9E)-9-ethylidene-7,7-dimethyl-8-methylidenebenzo[de]quinoline
CID 142398667
3-(2-ethyl-1-methylcyclopropyl)-8,8-dimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 164529234
CID 154612633
CID 154612633
CID 59522631
CID 59522631
spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
CID 59522731
CID 59865379
CID 59865379
CID 59865388
CID 59865388
8-ethyl-9-hept-5-en-3-yl-7,7-dimethylbenzo[de]quinoline
CID 138733323
CID 162695212
CID 162695212
CID 164745615
CID 164745615

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene?
The IUPAC name of 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene (CID 140837740) is 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene.
What is the SMILES notation for 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene?
The canonical SMILES for 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene is CC1C=CC2=C(C1F)C(C)(C)c1cccc3ccnc2c13.
What is the InChIKey of 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene?
The InChIKey is BCXNHIJVZVGJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-11-7-8-13-16(17(11)20)19(2,3)14-6-4-5-12-9-10-21-18(13)15(12)14/h4-11,17H,1-3H3.
What are the key properties of 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene?
6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene has a molecular weight of 279.36 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17),14-heptaene is sourced from PubChem (CID 140837740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).