2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C19H20F2 — CID 134297905

IUPAC2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCC(C)(C)C1c2ccccc2CC(F)(F)c2ccccc21
InChIInChI=1S/C19H20F2/c1-18(2,3)17-14-9-5-4-8-13(14)12-19(20,21)16-11-7-6-10-15(16)17/h4-11,17H,12H2,1-3H3
InChIKeyFJOFNPBZPBFUBT-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.51
Rot. Bonds

About 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 134297905) has the molecular formula C19H20F2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Name2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID134297905
Molecular FormulaC19H20F2
Molecular Weight286.37 g/mol
Exact Mass286.15
IUPAC Name2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESCC(C)(C)C1c2ccccc2CC(F)(F)c2ccccc21
InChIInChI=1S/C19H20F2/c1-18(2,3)17-14-9-5-4-8-13(14)12-19(20,21)16-11-7-6-10-15(16)17/h4-11,17H,12H2,1-3H3
InChIKeyFJOFNPBZPBFUBT-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 168862881
2-tert-butyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;(2,2-dimethyl-1-phenylpropyl)benzene;ethane;methane
CID 160572501
11-tert-butyl-6,11-dihydrobenzo[c][1]benzothiepine;ethane
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CID 155609294
11,11-difluoro-6-methoxy-12H-benzo[c][1]benzazocine
CID 20678500
3-tert-butyl-5,5-difluoro-6H-benzo[b][1]benzoxepine
CID 134215020
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
(2S,4R)-3,3-difluorotetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 59040472
2-(1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl)-2-methylpropanoic acid
CID 11413282
5,5-difluoro-1-methyl-3,4-dihydro-1H-2-benzoxepine
CID 165409714
1-(4,4-difluoro-1,3-dihydroisochromen-1-yl)-N-methylmethanamine
CID 134208098
11-tert-butyl-1,2,3,4,6,11-hexahydrobenzo[c][1]benzoxepine
CID 162498978

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 134297905) is 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is CC(C)(C)C1c2ccccc2CC(F)(F)c2ccccc21.
What is the InChIKey of 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is FJOFNPBZPBFUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2/c1-18(2,3)17-14-9-5-4-8-13(14)12-19(20,21)16-11-7-6-10-15(16)17/h4-11,17H,12H2,1-3H3.
What are the key properties of 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 286.37 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,9-difluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 134297905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).