1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium

C13H13F14U- — CID 159332832

IUPAC1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium
SMILES[CH2-]C(CCCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.[U]
InChIInChI=1S/C13H13F14.U/c1-7(6-9(15,12(22,23)24)13(25,26)27)4-2-3-5-8(14,10(16,17)18)11(19,20)21;/h7H,1-6H2;/q-1;
InChIKeyWPBPRPPJWJQCPD-UHFFFAOYSA-N
MW673.25 g/mol
LogP7.05
Rot. Bonds7

About 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium

1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium (PubChem CID 159332832) has the molecular formula C13H13F14U- and a molecular weight of 673.25 g/mol. Its IUPAC name is 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium.

Molecular Properties

Compound Name1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium
PubChem CID159332832
Molecular FormulaC13H13F14U-
Molecular Weight673.25 g/mol
Exact Mass673.13
IUPAC Name1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium
SMILES[CH2-]C(CCCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.[U]
InChIInChI=1S/C13H13F14.U/c1-7(6-9(15,12(22,23)24)13(25,26)27)4-2-3-5-8(14,10(16,17)18)11(19,20)21;/h7H,1-6H2;/q-1;
InChIKeyWPBPRPPJWJQCPD-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.25
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium with MolForge

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Related Compounds

1,1,1,2-tetrafluoro-2-(trifluoromethyl)nonane;uranium
CID 147368980
20,21,21,21-tetrafluoro-20-(trifluoromethyl)henicosan-1-amine
CID 155015019
7,8,8,8-tetrafluoro-7-(trifluoromethyl)octan-1-ol
CID 2776192
1,1,1,2,9,10,10,10-octafluoro-4-[3-(fluoromethylsulfanyl)propyl]-2,9-bis(trifluoromethyl)decane
CID 87159374
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane
CID 14417679
1,1,1,2-tetrafluoro-16-(3-methylbutoxy)-2-(trifluoromethyl)hexadecane
CID 126561772
7,8,8,8-tetrafluoro-3,7-bis(trifluoromethyl)octane-1-thiol
CID 143638102
2-[2-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octoxy]ethoxy]ethanol
CID 58901210
4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
CID 58901248
1,7,8,8,8-pentafluoro-5-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-7-(trifluoromethyl)octane-1-thiol
CID 87159417
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,42-dotetracontafluoro-12,31-diiododotetracontane
CID 165366348
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride
CID 58918806

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium?
The IUPAC name of 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium (CID 159332832) is 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium.
What is the SMILES notation for 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium?
The canonical SMILES for 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium is [CH2-]C(CCCCC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.[U].
What is the InChIKey of 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium?
The InChIKey is WPBPRPPJWJQCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F14.U/c1-7(6-9(15,12(22,23)24)13(25,26)27)4-2-3-5-8(14,10(16,17)18)11(19,20)21;/h7H,1-6H2;/q-1;.
What are the key properties of 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium?
1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium has a molecular weight of 673.25 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,9,10,10,10-octafluoro-4-methanidyl-2,9-bis(trifluoromethyl)decane;uranium is sourced from PubChem (CID 159332832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).