5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

C17H15F3 — CID 21337608

IUPAC5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESFC(F)(F)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C17H15F3/c18-17(19,20)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
InChIKeyKQTIWKSRHFFUIT-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.59
Rot. Bonds

About 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (PubChem CID 21337608) has the molecular formula C17H15F3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.

Molecular Properties

Compound Name5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
PubChem CID21337608
Molecular FormulaC17H15F3
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESFC(F)(F)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C17H15F3/c18-17(19,20)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
InChIKeyKQTIWKSRHFFUIT-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,11-bis(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;5,12-bis(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;ethane
CID 159004631
5-(bromomethyl)tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene
CID 15184281
5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 134864318
5-[(S)-tert-butylsulfinyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 139190010
3,16-dithiaheptacyclo[16.8.2.25,14.28,11.221,24.02,17.04,15]tetratriaconta-1,4,8,10,14,17,21,23,27,29,31,33-dodecaene
CID 101182324
5,11-bis(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 139076148
bis(tert-butylcyclopentane);5,11-ditert-butyltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;iron(2+)
CID 162278998
5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 15073818
5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 10777766
2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetonitrile
CID 170886247
lithium;hydride;tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 173181322
7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 66803651

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The IUPAC name of 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (CID 21337608) is 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
What is the SMILES notation for 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The canonical SMILES for 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is FC(F)(F)c1cc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The InChIKey is KQTIWKSRHFFUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3/c18-17(19,20)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2.
What are the key properties of 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene has a molecular weight of 276.30 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is sourced from PubChem (CID 21337608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).