2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene

C11H10F6 — CID 132648343

IUPAC2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene
SMILESFC(F)(F)C1=CCC2CC1CC=C2C(F)(F)F
InChIInChI=1S/C11H10F6/c12-10(13,14)8-3-1-6-5-7(8)2-4-9(6)11(15,16)17/h3-4,6-7H,1-2,5H2
InChIKeyOJDGRAWRUDUBFH-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.39
Rot. Bonds

About 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene

2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene (PubChem CID 132648343) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene
PubChem CID132648343
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene
SMILESFC(F)(F)C1=CCC2CC1CC=C2C(F)(F)F
InChIInChI=1S/C11H10F6/c12-10(13,14)8-3-1-6-5-7(8)2-4-9(6)11(15,16)17/h3-4,6-7H,1-2,5H2
InChIKeyOJDGRAWRUDUBFH-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.39
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

2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 594623
7,8-Bis(trifluoromethyl)tricyclo-[4,2,2,02,5]-deca-3,7,9-triene
CID 13438016
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
5,6-Bis(difluoromethylidene)bicyclo[2.2.2]oct-2-ene
CID 101505863
1,3,5,6-Tetrakis(trifluoromethyl)cyclohex-1-ene
CID 550520
1,2,7,7,8,8-Hexafluoro-5-(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
CID 602796
(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 10489505
1-Cyclohexyl-2,3,3,3-tetrafluoro-1-propene
CID 15497043
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)cyclohex-1-ene
CID 129319154
3-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 14295660
3-(1,1,2,3,3,3-Hexafluoropropyl)cyclohex-1-ene
CID 21486071
1-Fluoro-5-(trifluoromethyl)cyclohexene
CID 22158878

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene?
The IUPAC name of 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene (CID 132648343) is 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene.
What is the SMILES notation for 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene?
The canonical SMILES for 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene is FC(F)(F)C1=CCC2CC1CC=C2C(F)(F)F.
What is the InChIKey of 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene?
The InChIKey is OJDGRAWRUDUBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6/c12-10(13,14)8-3-1-6-5-7(8)2-4-9(6)11(15,16)17/h3-4,6-7H,1-2,5H2.
What are the key properties of 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene?
2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene has a molecular weight of 256.19 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene is sourced from PubChem (CID 132648343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).