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

C31H54F6 — CID 158218416

IUPAC2,2-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
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1C2
InChIInChI=1S/C12H20.C9H16.C5H6F6.C5H12/c1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;1-9(2)6-7-3-4-8(9)5-7;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4/h8-11H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;1-2H3;1-4H3
InChIKeyGCYIGCPPVGPWAW-UHFFFAOYSA-N
MW540.76 g/mol
LogP11.49
Rot. Bonds

About 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

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 (PubChem CID 158218416) has the molecular formula C31H54F6 and a molecular weight of 540.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID158218416
Molecular FormulaC31H54F6
Molecular Weight540.76 g/mol
Exact Mass540.41
IUPAC Name2,2-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
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1C2
InChIInChI=1S/C12H20.C9H16.C5H6F6.C5H12/c1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;1-9(2)6-7-3-4-8(9)5-7;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4/h8-11H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;1-2H3;1-4H3
InChIKeyGCYIGCPPVGPWAW-UHFFFAOYSA-N
XLogP11.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.76
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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CID 91591704
6,6-dimethylbicyclo[3.2.1]octane
CID 154531364
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
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
1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 58165688
8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 79128848
8-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386823
8-(1-methoxy-2-methylpropan-2-yl)-8-methyltricyclo[5.2.1.02,6]decane
CID 174350007
14,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 123435444
8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol
CID 63222407
(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane
CID 161451398

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1C2.
What is the InChIKey of 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?
The InChIKey is GCYIGCPPVGPWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C9H16.C5H6F6.C5H12/c1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;1-9(2)6-7-3-4-8(9)5-7;1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4/h8-11H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;1-2H3;1-4H3.
What are the key properties of 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?
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 has a molecular weight of 540.76 g/mol, XLogP of 11.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158218416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).