guanidine;2,2,2-trifluoroacetic acid;hydrochloride

C3H7ClF3N3O2 — CID 18698242

IUPACguanidine;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)F.[H]N=C(N)N
InChIInChI=1S/C2HF3O2.CH5N3.ClH/c3-2(4,5)1(6)7;2-1(3)4;/h(H,6,7);(H5,2,3,4);1H
InChIKeyLZXOGAUCWQSZDD-UHFFFAOYSA-N
MW209.55 g/mol
LogP-0.11
Rot. Bonds

About guanidine;2,2,2-trifluoroacetic acid;hydrochloride

guanidine;2,2,2-trifluoroacetic acid;hydrochloride (PubChem CID 18698242) has the molecular formula C3H7ClF3N3O2 and a molecular weight of 209.55 g/mol. Its IUPAC name is guanidine;2,2,2-trifluoroacetic acid;hydrochloride.

Molecular Properties

Compound Nameguanidine;2,2,2-trifluoroacetic acid;hydrochloride
PubChem CID18698242
Molecular FormulaC3H7ClF3N3O2
Molecular Weight209.55 g/mol
Exact Mass209.02
IUPAC Nameguanidine;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCl.O=C(O)C(F)(F)F.[H]N=C(N)N
InChIInChI=1S/C2HF3O2.CH5N3.ClH/c3-2(4,5)1(6)7;2-1(3)4;/h(H,6,7);(H5,2,3,4);1H
InChIKeyLZXOGAUCWQSZDD-UHFFFAOYSA-N
XLogP-0.11
TPSA113.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.55
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

butane;guanidine;2,2,2-trifluoroacetic acid
CID 173066595
diaminomethylideneazanium;2,2,2-trifluoroacetic acid
CID 159933368
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
methanimine;2,2,2-trifluoroacetic acid
CID 87715622
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
guanidine;1,1,1-trifluoropropan-2-one
CID 161240070
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255

Frequently Asked Questions

What is the IUPAC name of guanidine;2,2,2-trifluoroacetic acid;hydrochloride?
The IUPAC name of guanidine;2,2,2-trifluoroacetic acid;hydrochloride (CID 18698242) is guanidine;2,2,2-trifluoroacetic acid;hydrochloride.
What is the SMILES notation for guanidine;2,2,2-trifluoroacetic acid;hydrochloride?
The canonical SMILES for guanidine;2,2,2-trifluoroacetic acid;hydrochloride is Cl.O=C(O)C(F)(F)F.[H]N=C(N)N.
What is the InChIKey of guanidine;2,2,2-trifluoroacetic acid;hydrochloride?
The InChIKey is LZXOGAUCWQSZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.CH5N3.ClH/c3-2(4,5)1(6)7;2-1(3)4;/h(H,6,7);(H5,2,3,4);1H.
What are the key properties of guanidine;2,2,2-trifluoroacetic acid;hydrochloride?
guanidine;2,2,2-trifluoroacetic acid;hydrochloride has a molecular weight of 209.55 g/mol, XLogP of -0.11, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;2,2,2-trifluoroacetic acid;hydrochloride is sourced from PubChem (CID 18698242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).