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

C6H9F3N2 — CID 134382222

IUPAC(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
SMILESCC/N=C/C=C(\N)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2,10H2,1H3/b5-3-,11-4+
InChIKeyLOZQLCKXAHIAGT-DVJFJSKXSA-N
MW166.15 g/mol
LogP1.48
Rot. Bonds2

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

(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine (PubChem CID 134382222) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
PubChem CID134382222
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
SMILESCC/N=C/C=C(\N)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2,10H2,1H3/b5-3-,11-4+
InChIKeyLOZQLCKXAHIAGT-DVJFJSKXSA-N
XLogP1.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.48
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-trifluorobut-2-en-2-amine?
The IUPAC name of (Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine (CID 134382222) is (Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine.
What is the SMILES notation for (Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine?
The canonical SMILES for (Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine is CC/N=C/C=C(\N)C(F)(F)F.
What is the InChIKey of (Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine?
The InChIKey is LOZQLCKXAHIAGT-DVJFJSKXSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2,10H2,1H3/b5-3-,11-4+.
What are the key properties of (Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine?
(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine has a molecular weight of 166.15 g/mol, XLogP of 1.48, 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-trifluorobut-2-en-2-amine is sourced from PubChem (CID 134382222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).