(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine

C7H9F3N2 — CID 138628399

IUPAC(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
SMILESC=C(C)/N=C(/C=C\N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(2)12-6(3-4-11)7(8,9)10/h3-4H,1,11H2,2H3/b4-3-,12-6-
InChIKeyRXSBRSUYGXQQNQ-HLTLCVLOSA-N
MW178.16 g/mol
LogP2.00
Rot. Bonds2

About (Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine

(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine (PubChem CID 138628399) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
PubChem CID138628399
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
SMILESC=C(C)/N=C(/C=C\N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(2)12-6(3-4-11)7(8,9)10/h3-4H,1,11H2,2H3/b4-3-,12-6-
InChIKeyRXSBRSUYGXQQNQ-HLTLCVLOSA-N
XLogP2.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.00
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)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine?
The IUPAC name of (Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine (CID 138628399) is (Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine.
What is the SMILES notation for (Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine?
The canonical SMILES for (Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine is C=C(C)/N=C(/C=C\N)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine?
The InChIKey is RXSBRSUYGXQQNQ-HLTLCVLOSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(2)12-6(3-4-11)7(8,9)10/h3-4H,1,11H2,2H3/b4-3-,12-6-.
What are the key properties of (Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine?
(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine has a molecular weight of 178.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine is sourced from PubChem (CID 138628399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).