1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium

C8H5F12U- — CID 159746826

IUPAC1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium
SMILES[CH2-]CC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.[U]
InChIInChI=1S/C8H5F12.U/c1-2-4(10,6(12,13)14)3(9)5(11,7(15,16)17)8(18,19)20;/h3H,1-2H2;/q-1;
InChIKeyURYHUAVWTIORFA-UHFFFAOYSA-N
MW567.13 g/mol
LogP4.65
Rot. Bonds3

About 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium

1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium (PubChem CID 159746826) has the molecular formula C8H5F12U- and a molecular weight of 567.13 g/mol. Its IUPAC name is 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium.

Molecular Properties

Compound Name1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium
PubChem CID159746826
Molecular FormulaC8H5F12U-
Molecular Weight567.13 g/mol
Exact Mass567.07
IUPAC Name1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium
SMILES[CH2-]CC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.[U]
InChIInChI=1S/C8H5F12.U/c1-2-4(10,6(12,13)14)3(9)5(11,7(15,16)17)8(18,19)20;/h3H,1-2H2;/q-1;
InChIKeyURYHUAVWTIORFA-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.13
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] prop-2-enoate
CID 54319495
1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane
CID 54544362
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
CID 91322713
2-[[2-(difluoromethyl)-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1,2,3,3-hexafluoropropane
CID 87137039
1,1,1,2,3,4,5,5,5-nonafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-(trifluoromethyl)pentane
CID 88558617
1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane
CID 158078456
2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane
CID 54187869
1,1,1,2,3,3,4,5-octafluoropentane
CID 86184237
3-ethyl-1,1,1,2,2,3,4,5,5,6,6,6-dodecafluorohexane
CID 145149562
methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane
CID 161018111
1,1,1,2,2,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane
CID 15267638
carbon monoxide;cobalt;1,1,1-trifluoropropane
CID 632081

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium?
The IUPAC name of 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium (CID 159746826) is 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium.
What is the SMILES notation for 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium?
The canonical SMILES for 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium is [CH2-]CC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.[U].
What is the InChIKey of 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium?
The InChIKey is URYHUAVWTIORFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F12.U/c1-2-4(10,6(12,13)14)3(9)5(11,7(15,16)17)8(18,19)20;/h3H,1-2H2;/q-1;.
What are the key properties of 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium?
1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium has a molecular weight of 567.13 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4-hexafluoro-2,4-bis(trifluoromethyl)hexane;uranium is sourced from PubChem (CID 159746826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).