benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane

C44H70F12 — CID 158467190

IUPACbenzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(C)C.c1ccccc1.c1ccccc1
InChIInChI=1S/C10H16.2C6H6.2C5H6F6.2C5H12.C2H6/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-2-4-6-5-3-1;2*1-3(2,4(6,7)8)5(9,10)11;2*1-5(2,3)4;1-2/h7-10H,1-6H2;2*1-6H;2*1-2H3;2*1-4H3;1-2H3
InChIKeyHFXBPOKTDVRPRX-UHFFFAOYSA-N
MW827.02 g/mol
LogP17.61
Rot. Bonds

About benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane

benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane (PubChem CID 158467190) has the molecular formula C44H70F12 and a molecular weight of 827.02 g/mol. Its IUPAC name is benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Namebenzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane
PubChem CID158467190
Molecular FormulaC44H70F12
Molecular Weight827.02 g/mol
Exact Mass826.53
IUPAC Namebenzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(C)C.c1ccccc1.c1ccccc1
InChIInChI=1S/C10H16.2C6H6.2C5H6F6.2C5H12.C2H6/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-2-4-6-5-3-1;2*1-3(2,4(6,7)8)5(9,10)11;2*1-5(2,3)4;1-2/h7-10H,1-6H2;2*1-6H;2*1-2H3;2*1-4H3;1-2H3
InChIKeyHFXBPOKTDVRPRX-UHFFFAOYSA-N
XLogP17.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.02
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
tricyclo[4.4.0.02,8]decane
CID 585864
ethane;phenol;propane;tricyclo[5.2.1.02,6]decane
CID 158010646
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 91597819
2,2-dimethylbicyclo[2.2.1]heptane;2,2-dimethylpropane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane
CID 158218416
4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 89368912
ethane;methane;tris(2-methylphenol);bis(tricyclo[5.2.1.02,6]decane)
CID 157439447
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
ethane;propane;bis(prop-2-enoxybenzene);bis(tricyclo[5.2.1.02,6]decane)
CID 158522411
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
CID 58330634

Frequently Asked Questions

What is the IUPAC name of benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane?
The IUPAC name of benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane (CID 158467190) is benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane?
The canonical SMILES for benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane is C1CC2C3CCC(C3)C2C1.CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)(C)C.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane?
The InChIKey is HFXBPOKTDVRPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C6H6.2C5H6F6.2C5H12.C2H6/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-2-4-6-5-3-1;2*1-3(2,4(6,7)8)5(9,10)11;2*1-5(2,3)4;1-2/h7-10H,1-6H2;2*1-6H;2*1-2H3;2*1-4H3;1-2H3.
What are the key properties of benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane?
benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane has a molecular weight of 827.02 g/mol, XLogP of 17.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 158467190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).