1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium

C13H17BrF9U- — CID 157244986

IUPAC1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium
SMILES[CH2-]C(CBr)CC(CC(F)(F)CC(F)(F)CC(C)(F)F)C(F)(F)F.[U]
InChIInChI=1S/C13H17BrF9.U/c1-8(5-14)3-9(13(21,22)23)4-11(17,18)7-12(19,20)6-10(2,15)16;/h8-9H,1,3-7H2,2H3;/q-1;
InChIKeyZCTMZKUNWIMHDS-UHFFFAOYSA-N
MW662.19 g/mol
LogP6.50
Rot. Bonds9

About 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium

1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium (PubChem CID 157244986) has the molecular formula C13H17BrF9U- and a molecular weight of 662.19 g/mol. Its IUPAC name is 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium.

Molecular Properties

Compound Name1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium
PubChem CID157244986
Molecular FormulaC13H17BrF9U-
Molecular Weight662.19 g/mol
Exact Mass661.09
IUPAC Name1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium
SMILES[CH2-]C(CBr)CC(CC(F)(F)CC(F)(F)CC(C)(F)F)C(F)(F)F.[U]
InChIInChI=1S/C13H17BrF9.U/c1-8(5-14)3-9(13(21,22)23)4-11(17,18)7-12(19,20)6-10(2,15)16;/h8-9H,1,3-7H2,2H3;/q-1;
InChIKeyZCTMZKUNWIMHDS-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.19
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6,6,8,8,10,10-hexafluoro-4-(trifluoromethyl)undec-1-ene
CID 87159227
(Z)-1,1,1,8,8,10,10,12,13,13,13-undecafluoro-12-methyl-4,6-bis(trifluoromethyl)tridec-2-ene
CID 58419060
2,2,4,4,6,6,8,8-octafluorodecane
CID 126493051
1,1,1,2,4,4,6,6,13,13,13-undecafluoro-12-iodo-2,8,10-tris(trifluoromethyl)tridecane
CID 59721653
9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-thiol
CID 59721655
4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane
CID 58292446
1,1,1,2,2,4,4,6,6,8,8,10,10-tridecafluoro-12-methyltridecane
CID 58100020
9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride
CID 59721658
8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol
CID 89292991
4-(bromomethyl)-2,2-difluoro-4,5-dimethylhexane
CID 165446111
N-ethenyl-2,2,4,4-tetrafluoropentan-1-amine
CID 158174051
carboxymethyl-dimethyl-[3-[[9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradecyl]sulfonylamino]propyl]azanium
CID 58419012

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium?
The IUPAC name of 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium (CID 157244986) is 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium.
What is the SMILES notation for 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium?
The canonical SMILES for 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium is [CH2-]C(CBr)CC(CC(F)(F)CC(F)(F)CC(C)(F)F)C(F)(F)F.[U].
What is the InChIKey of 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium?
The InChIKey is ZCTMZKUNWIMHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF9.U/c1-8(5-14)3-9(13(21,22)23)4-11(17,18)7-12(19,20)6-10(2,15)16;/h8-9H,1,3-7H2,2H3;/q-1;.
What are the key properties of 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium?
1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium has a molecular weight of 662.19 g/mol, XLogP of 6.50, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6,6,8,8,10,10-hexafluoro-2-methanidyl-4-(trifluoromethyl)undecane;uranium is sourced from PubChem (CID 157244986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).