(Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine

C5H9F3N2 — CID 162616522

IUPAC(Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine
SMILESCCN/C=C(\N)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-2-10-3-4(9)5(6,7)8/h3,10H,2,9H2,1H3/b4-3-
InChIKeyCBEFWSRQOHUVJW-ARJAWSKDSA-N
MW154.13 g/mol
LogP0.96
Rot. Bonds2

About (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine

(Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine (PubChem CID 162616522) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine
PubChem CID162616522
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name(Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine
SMILESCCN/C=C(\N)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-2-10-3-4(9)5(6,7)8/h3,10H,2,9H2,1H3/b4-3-
InChIKeyCBEFWSRQOHUVJW-ARJAWSKDSA-N
XLogP0.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine (CID 162616522) is (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine is CCN/C=C(\N)C(F)(F)F.
What is the InChIKey of (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine?
The InChIKey is CBEFWSRQOHUVJW-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-2-10-3-4(9)5(6,7)8/h3,10H,2,9H2,1H3/b4-3-.
What are the key properties of (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine?
(Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine has a molecular weight of 154.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-3,3,3-trifluoroprop-1-ene-1,2-diamine is sourced from PubChem (CID 162616522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).