[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane

C13H19F6OP — CID 22887496

IUPAC[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane
SMILESCC1C2CC(CC(OP)(C(F)(F)F)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C13H19F6OP/c1-6-7(2)10-4-8(6)3-9(10)5-11(20-21,12(14,15)16)13(17,18)19/h6-10H,3-5,21H2,1-2H3
InChIKeyRGYQMCFFANHXNK-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.97
Rot. Bonds3

About [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane

[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane (PubChem CID 22887496) has the molecular formula C13H19F6OP and a molecular weight of 336.26 g/mol. Its IUPAC name is [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane.

Molecular Properties

Compound Name[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane
PubChem CID22887496
Molecular FormulaC13H19F6OP
Molecular Weight336.26 g/mol
Exact Mass336.11
IUPAC Name[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane
SMILESCC1C2CC(CC(OP)(C(F)(F)F)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C13H19F6OP/c1-6-7(2)10-4-8(6)3-9(10)5-11(20-21,12(14,15)16)13(17,18)19/h6-10H,3-5,21H2,1-2H3
InChIKeyRGYQMCFFANHXNK-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane
CID 58205815
tert-butyl [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane
CID 159451098
3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol
CID 58445668
1,1,1,3,3,3-hexafluoro-2-[[5-methyl-6-[3-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol
CID 59071798
tert-butyl 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 91081182
4,5-dimethyl-9-[3,3,3-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20743946
9-[2-[1-(2-cyclohexylethoxy)ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 20771666
1,1,1,3,3,3-hexafluoro-2-[(6-iodo-5-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
CID 149222725
4,5-dimethyl-9-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;ethane
CID 91071116
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol
CID 23405415
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methanol;(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethanol;tetrakis(2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol);3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol;methane
CID 161443819
1-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]adamantane;1-[[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]adamantane;methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 91598857

Frequently Asked Questions

What is the IUPAC name of [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane?
The IUPAC name of [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane (CID 22887496) is [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane.
What is the SMILES notation for [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane?
The canonical SMILES for [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane is CC1C2CC(CC(OP)(C(F)(F)F)C(F)(F)F)C(C2)C1C.
What is the InChIKey of [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane?
The InChIKey is RGYQMCFFANHXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6OP/c1-6-7(2)10-4-8(6)3-9(10)5-11(20-21,12(14,15)16)13(17,18)19/h6-10H,3-5,21H2,1-2H3.
What are the key properties of [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane?
[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane has a molecular weight of 336.26 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane is sourced from PubChem (CID 22887496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).