N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)

C8H4F3NOU — CID 162619403

IUPACN-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)
SMILES[H]/[C-]=N/c1[c-]ccc(OC(F)(F)F)c1.[U+2]
InChIInChI=1S/C8H4F3NO.U/c1-12-6-3-2-4-7(5-6)13-8(9,10)11;/h1-2,4-5H;/q-2;+2
InChIKeyKVJRNPOZCBWNFT-UHFFFAOYSA-N
MW425.15 g/mol
LogP2.59
Rot. Bonds2

About N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)

N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+) (PubChem CID 162619403) has the molecular formula C8H4F3NOU and a molecular weight of 425.15 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+).

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)
PubChem CID162619403
Molecular FormulaC8H4F3NOU
Molecular Weight425.15 g/mol
Exact Mass425.08
IUPAC NameN-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)
SMILES[H]/[C-]=N/c1[c-]ccc(OC(F)(F)F)c1.[U+2]
InChIInChI=1S/C8H4F3NO.U/c1-12-6-3-2-4-7(5-6)13-8(9,10)11;/h1-2,4-5H;/q-2;+2
InChIKeyKVJRNPOZCBWNFT-UHFFFAOYSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.15
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)?
The IUPAC name of N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+) (CID 162619403) is N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+).
What is the SMILES notation for N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)?
The canonical SMILES for N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+) is [H]/[C-]=N/c1[c-]ccc(OC(F)(F)F)c1.[U+2].
What is the InChIKey of N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)?
The InChIKey is KVJRNPOZCBWNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO.U/c1-12-6-3-2-4-7(5-6)13-8(9,10)11;/h1-2,4-5H;/q-2;+2.
What are the key properties of N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)?
N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+) has a molecular weight of 425.15 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+) is sourced from PubChem (CID 162619403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).