ethane-1,2-diamine;2,2,2-trifluoroacetic acid

C4H9F3N2O2 — CID 87485820

IUPACethane-1,2-diamine;2,2,2-trifluoroacetic acid
SMILESNCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H8N2/c3-2(4,5)1(6)7;3-1-2-4/h(H,6,7);1-4H2
InChIKeyCEIJSYDFFFCXRY-UHFFFAOYSA-N
MW174.12 g/mol
LogP-0.46
Rot. Bonds1

About ethane-1,2-diamine;2,2,2-trifluoroacetic acid

ethane-1,2-diamine;2,2,2-trifluoroacetic acid (PubChem CID 87485820) has the molecular formula C4H9F3N2O2 and a molecular weight of 174.12 g/mol. Its IUPAC name is ethane-1,2-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;2,2,2-trifluoroacetic acid
PubChem CID87485820
Molecular FormulaC4H9F3N2O2
Molecular Weight174.12 g/mol
Exact Mass174.06
IUPAC Nameethane-1,2-diamine;2,2,2-trifluoroacetic acid
SMILESNCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H8N2/c3-2(4,5)1(6)7;3-1-2-4/h(H,6,7);1-4H2
InChIKeyCEIJSYDFFFCXRY-UHFFFAOYSA-N
XLogP-0.46
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminopropan-1-ol;2,2,2-trifluoroacetic acid
CID 87715709
2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
CID 171923069
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
guanidine;2,2,2-trifluoroacetic acid;hydrochloride
CID 18698242
prop-2-yn-1-amine;2,2,2-trifluoroacetic acid
CID 172715928
dodecan-1-amine;2,2,2-trifluoroacetic acid
CID 71401775
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of ethane-1,2-diamine;2,2,2-trifluoroacetic acid (CID 87485820) is ethane-1,2-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethane-1,2-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethane-1,2-diamine;2,2,2-trifluoroacetic acid is NCCN.O=C(O)C(F)(F)F.
What is the InChIKey of ethane-1,2-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is CEIJSYDFFFCXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H8N2/c3-2(4,5)1(6)7;3-1-2-4/h(H,6,7);1-4H2.
What are the key properties of ethane-1,2-diamine;2,2,2-trifluoroacetic acid?
ethane-1,2-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 174.12 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87485820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).