(Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine

C7H11F3N2 — CID 163557414

IUPAC(Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine
SMILESCC/N=C(C)/C=C(\N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-3-12-5(2)4-6(11)7(8,9)10/h4H,3,11H2,1-2H3/b6-4-,12-5+
InChIKeyFOHRAWSHBVAUKY-GLNLJRCCSA-N
MW180.17 g/mol
LogP1.87
Rot. Bonds2

About (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine

(Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine (PubChem CID 163557414) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine
PubChem CID163557414
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine
SMILESCC/N=C(C)/C=C(\N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-3-12-5(2)4-6(11)7(8,9)10/h4H,3,11H2,1-2H3/b6-4-,12-5+
InChIKeyFOHRAWSHBVAUKY-GLNLJRCCSA-N
XLogP1.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine?
The IUPAC name of (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine (CID 163557414) is (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine.
What is the SMILES notation for (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine?
The canonical SMILES for (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine is CC/N=C(C)/C=C(\N)C(F)(F)F.
What is the InChIKey of (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine?
The InChIKey is FOHRAWSHBVAUKY-GLNLJRCCSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-3-12-5(2)4-6(11)7(8,9)10/h4H,3,11H2,1-2H3/b6-4-,12-5+.
What are the key properties of (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine?
(Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine has a molecular weight of 180.17 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethylimino-1,1,1-trifluoropent-2-en-2-amine is sourced from PubChem (CID 163557414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).