(Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine

C5H10F3N3 — CID 126515333

IUPAC(Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine
SMILESCCN(N)/C=C(\N)C(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-2-11(10)3-4(9)5(6,7)8/h3H,2,9-10H2,1H3/b4-3-
InChIKeyJDIRZTVYONYJML-ARJAWSKDSA-N
MW169.15 g/mol
LogP0.54
Rot. Bonds2

About (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine

(Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine (PubChem CID 126515333) has the molecular formula C5H10F3N3 and a molecular weight of 169.15 g/mol. Its IUPAC name is (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine
PubChem CID126515333
Molecular FormulaC5H10F3N3
Molecular Weight169.15 g/mol
Exact Mass169.08
IUPAC Name(Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine
SMILESCCN(N)/C=C(\N)C(F)(F)F
InChIInChI=1S/C5H10F3N3/c1-2-11(10)3-4(9)5(6,7)8/h3H,2,9-10H2,1H3/b4-3-
InChIKeyJDIRZTVYONYJML-ARJAWSKDSA-N
XLogP0.54
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine (CID 126515333) is (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine is CCN(N)/C=C(\N)C(F)(F)F.
What is the InChIKey of (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine?
The InChIKey is JDIRZTVYONYJML-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H10F3N3/c1-2-11(10)3-4(9)5(6,7)8/h3H,2,9-10H2,1H3/b4-3-.
What are the key properties of (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine?
(Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine has a molecular weight of 169.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine is sourced from PubChem (CID 126515333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).