2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane

C16H25F11O — CID 159834698

IUPAC2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane
SMILESC.C.CC(F)(F)CF.CC1C(F)C2CC1C(F)(C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C11H12F8O.C3H5F3.2CH4/c1-4-6-2-5(7(4)12)3-8(6,13)9(20,10(14,15)16)11(17,18)19;1-3(5,6)2-4;;/h4-7,20H,2-3H2,1H3;2H2,1H3;2*1H4
InChIKeyNNXISHGKBWDWBL-UHFFFAOYSA-N
MW442.35 g/mol
LogP6.45
Rot. Bonds2

About 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane

2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane (PubChem CID 159834698) has the molecular formula C16H25F11O and a molecular weight of 442.35 g/mol. Its IUPAC name is 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane.

Molecular Properties

Compound Name2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane
PubChem CID159834698
Molecular FormulaC16H25F11O
Molecular Weight442.35 g/mol
Exact Mass442.17
IUPAC Name2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane
SMILESC.C.CC(F)(F)CF.CC1C(F)C2CC1C(F)(C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C11H12F8O.C3H5F3.2CH4/c1-4-6-2-5(7(4)12)3-8(6,13)9(20,10(14,15)16)11(17,18)19;1-3(5,6)2-4;;/h4-7,20H,2-3H2,1H3;2H2,1H3;2*1H4
InChIKeyNNXISHGKBWDWBL-UHFFFAOYSA-N
XLogP6.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane with MolForge

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Related Compounds

1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol
CID 58051828
4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-fluoro-9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 20743955
1,1,1,3,3,3-hexafluoro-2-(6-fluoro-3-methyl-8-oxabicyclo[3.2.1]octan-6-yl)propan-2-ol
CID 162550341
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 20743874
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;2-methylpropane
CID 91230238
[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 4-ethyl-2,3,6-trimethylbicyclo[3.2.1]octane-6-carboxylate
CID 118227725
1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol
CID 118231680
fluoromethane;1,1,2-trifluoro-1-(fluoromethoxy)ethane;1,2,2-trifluoropropane
CID 91351347
1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;3-methyl-3-(trifluoromethyl)pentane
CID 91018341
2-(2,3-difluoro-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58773390
2-(2-bicyclo[1.1.0]butanyl)-1,1,1,3-tetrafluoropropan-2-ol
CID 90391994
1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 58165688

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane?
The IUPAC name of 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane (CID 159834698) is 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane.
What is the SMILES notation for 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane?
The canonical SMILES for 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane is C.C.CC(F)(F)CF.CC1C(F)C2CC1C(F)(C(O)(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane?
The InChIKey is NNXISHGKBWDWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F8O.C3H5F3.2CH4/c1-4-6-2-5(7(4)12)3-8(6,13)9(20,10(14,15)16)11(17,18)19;1-3(5,6)2-4;;/h4-7,20H,2-3H2,1H3;2H2,1H3;2*1H4.
What are the key properties of 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane?
2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane has a molecular weight of 442.35 g/mol, XLogP of 6.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-6-methyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1,2,2-trifluoropropane is sourced from PubChem (CID 159834698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).