1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene

C16F24 — CID 134977949

IUPAC1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2(C(F)(F)F)C1(C(F)(F)F)C1(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C21C(F)(F)F
InChIInChI=1S/C16F24/c17-9(18,19)1-2(10(20,21)22)6(14(32,33)34)5(1,13(29,30)31)7(15(35,36)37)3(11(23,24)25)4(12(26,27)28)8(6,7)16(38,39)40
InChIKeyMAOSMLXIRYXVPB-UHFFFAOYSA-N
MW648.13 g/mol
LogP9.06
Rot. Bonds

About 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene

1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene (PubChem CID 134977949) has the molecular formula C16F24 and a molecular weight of 648.13 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene
PubChem CID134977949
Molecular FormulaC16F24
Molecular Weight648.13 g/mol
Exact Mass647.96
IUPAC Name1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C2(C(F)(F)F)C1(C(F)(F)F)C1(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C21C(F)(F)F
InChIInChI=1S/C16F24/c17-9(18,19)1-2(10(20,21)22)6(14(32,33)34)5(1,13(29,30)31)7(15(35,36)37)3(11(23,24)25)4(12(26,27)28)8(6,7)16(38,39)40
InChIKeyMAOSMLXIRYXVPB-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.13
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,3,4,4,5,5,6,6-Nonafluoro-2-[2,2,3,3,4,4-hexafluoro-1-(1,2,2,3,3,4,4-heptafluorocyclobutyl)cyclobutyl]cyclohexene
CID 12563814
3,3,4,4-Tetrafluoro-1,2-bis[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclobutene
CID 155681371
1,3,3,4,4,5,5,6,6-Nonafluoro-2-[1,1,1,3,4,4,5,5,5-nonafluoro-2,3-bis(trifluoromethyl)pentan-2-yl]cyclohexene
CID 155681403
1,3,3,4,4,5,5,6,6-Nonafluoro-2-[1,1,1,2,2,4,5,5,5-nonafluoro-3,4-bis(trifluoromethyl)pentan-3-yl]cyclohexene
CID 175078548
3,3,4,4-Tetrafluoro-1,2-bis[1,1,1,3,3,4,5,5,5-nonafluoro-2,4-bis(trifluoromethyl)pentan-2-yl]cyclobutene
CID 175078759
3,3,4,4-Tetrafluoro-1,2-bis[1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-yl]cyclobutene
CID 175078772
1,3,3,4,4-Pentafluoro-2-[1,1,1,3,4,4,5,5,5-nonafluoro-2,3-bis(trifluoromethyl)pentan-2-yl]cyclobutene
CID 175086343
1,2-Bis[1,1,1,3,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexan-2-yl]-3,3,4,4-tetrafluorocyclobutene
CID 175712614
Bicyclo[2.2.0]hexa-2,5-diene,1,2,3,4,5,6-hexakis(pentafluoroethyl)-
CID 6432266
1,1,2,2,3,3,4-Heptafluoro-4-[1,1,1,3,3,3-hexafluoro-2-(2,3,3,4,4-pentafluorocyclobuten-1-yl)propan-2-yl]cyclobutane
CID 12563820

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene?
The IUPAC name of 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene (CID 134977949) is 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene is FC(F)(F)C1=C(C(F)(F)F)C2(C(F)(F)F)C1(C(F)(F)F)C1(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C21C(F)(F)F.
What is the InChIKey of 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene?
The InChIKey is MAOSMLXIRYXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F24/c17-9(18,19)1-2(10(20,21)22)6(14(32,33)34)5(1,13(29,30)31)7(15(35,36)37)3(11(23,24)25)4(12(26,27)28)8(6,7)16(38,39)40.
What are the key properties of 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene?
1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene has a molecular weight of 648.13 g/mol, XLogP of 9.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octakis(trifluoromethyl)tricyclo[4.2.0.02,5]octa-3,7-diene is sourced from PubChem (CID 134977949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).