4-ethylimino-1,1,1-trifluorobut-2-en-2-amine

C6H9F3N2 — CID 142308477

IUPAC4-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-HVZKQTIUSA-N
MW166.15 g/mol
LogP1.48
Rot. Bonds2

About 4-ethylimino-1,1,1-trifluorobut-2-en-2-amine

4-ethylimino-1,1,1-trifluorobut-2-en-2-amine (PubChem CID 142308477) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 4-ethylimino-1,1,1-trifluorobut-2-en-2-amine.

Molecular Properties

Compound Name4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
PubChem CID142308477
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name4-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-HVZKQTIUSA-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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Related Compounds

(Z)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine
CID 88232102
(Z)-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 88936986
(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
CID 89214268
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
3-N-ethylidene-2-fluorobut-2-ene-1,3-diimine
CID 123721376
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
(Z)-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 134382222
(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
(E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride
CID 143915054
N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine
CID 146200869
1,1-Difluoro-4-methyliminobut-2-en-2-amine
CID 146689609
1,1,1-Trifluoro-4-methyliminobut-2-en-2-amine
CID 147541795

Frequently Asked Questions

What is the IUPAC name of 4-ethylimino-1,1,1-trifluorobut-2-en-2-amine?
The IUPAC name of 4-ethylimino-1,1,1-trifluorobut-2-en-2-amine (CID 142308477) is 4-ethylimino-1,1,1-trifluorobut-2-en-2-amine.
What is the SMILES notation for 4-ethylimino-1,1,1-trifluorobut-2-en-2-amine?
The canonical SMILES for 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 4-ethylimino-1,1,1-trifluorobut-2-en-2-amine?
The InChIKey is LOZQLCKXAHIAGT-HVZKQTIUSA-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 4-ethylimino-1,1,1-trifluorobut-2-en-2-amine?
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 4-ethylimino-1,1,1-trifluorobut-2-en-2-amine is sourced from PubChem (CID 142308477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).