carbamoylazanium;2,2,2-trifluoroacetate

C3H5F3N2O3 — CID 139614468

IUPACcarbamoylazanium;2,2,2-trifluoroacetate
SMILESNC([NH3+])=O.O=C([O-])C(F)(F)F
InChIInChI=1S/C2HF3O2.CH4N2O/c3-2(4,5)1(6)7;2-1(3)4/h(H,6,7);(H4,2,3,4)
InChIKeyUSIVMVHZRCKJGX-UHFFFAOYSA-N
MW174.08 g/mol
LogP-2.39
Rot. Bonds

About carbamoylazanium;2,2,2-trifluoroacetate

carbamoylazanium;2,2,2-trifluoroacetate (PubChem CID 139614468) has the molecular formula C3H5F3N2O3 and a molecular weight of 174.08 g/mol. Its IUPAC name is carbamoylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namecarbamoylazanium;2,2,2-trifluoroacetate
PubChem CID139614468
Molecular FormulaC3H5F3N2O3
Molecular Weight174.08 g/mol
Exact Mass174.03
IUPAC Namecarbamoylazanium;2,2,2-trifluoroacetate
SMILESNC([NH3+])=O.O=C([O-])C(F)(F)F
InChIInChI=1S/C2HF3O2.CH4N2O/c3-2(4,5)1(6)7;2-1(3)4/h(H,6,7);(H4,2,3,4)
InChIKeyUSIVMVHZRCKJGX-UHFFFAOYSA-N
XLogP-2.39
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.08
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
oxygen(2-);titanium(4+);2,2,2-trifluoroacetate
CID 157418814
2,2,2-trifluoroacetate acetate
CID 19379527
copper;barium(2+);gadolinium(3+);heptakis(2,2,2-trifluoroacetate)
CID 174678543
carbamoylazanium;oxalate
CID 135764617
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247

Frequently Asked Questions

What is the IUPAC name of carbamoylazanium;2,2,2-trifluoroacetate?
The IUPAC name of carbamoylazanium;2,2,2-trifluoroacetate (CID 139614468) is carbamoylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for carbamoylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for carbamoylazanium;2,2,2-trifluoroacetate is NC([NH3+])=O.O=C([O-])C(F)(F)F.
What is the InChIKey of carbamoylazanium;2,2,2-trifluoroacetate?
The InChIKey is USIVMVHZRCKJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.CH4N2O/c3-2(4,5)1(6)7;2-1(3)4/h(H,6,7);(H4,2,3,4).
What are the key properties of carbamoylazanium;2,2,2-trifluoroacetate?
carbamoylazanium;2,2,2-trifluoroacetate has a molecular weight of 174.08 g/mol, XLogP of -2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 139614468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).