(Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane

C9H15F3N2 — CID 145080423

IUPAC(Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane
SMILESCC.[H]/N=C(/C=C(\N)C1CC1)C(F)(F)F
InChIInChI=1S/C7H9F3N2.C2H6/c8-7(9,10)6(12)3-5(11)4-1-2-4;1-2/h3-4,12H,1-2,11H2;1-2H3/b5-3-,12-6-;
InChIKeySGPIZBOMXVJZJC-AEVZKMLCSA-N
MW208.23 g/mol
LogP2.85
Rot. Bonds2

About (Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane

(Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane (PubChem CID 145080423) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane
PubChem CID145080423
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name(Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane
SMILESCC.[H]/N=C(/C=C(\N)C1CC1)C(F)(F)F
InChIInChI=1S/C7H9F3N2.C2H6/c8-7(9,10)6(12)3-5(11)4-1-2-4;1-2/h3-4,12H,1-2,11H2;1-2H3/b5-3-,12-6-;
InChIKeySGPIZBOMXVJZJC-AEVZKMLCSA-N
XLogP2.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
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)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane?
The IUPAC name of (Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane (CID 145080423) is (Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane.
What is the SMILES notation for (Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane?
The canonical SMILES for (Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane is CC.[H]/N=C(/C=C(\N)C1CC1)C(F)(F)F.
What is the InChIKey of (Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane?
The InChIKey is SGPIZBOMXVJZJC-AEVZKMLCSA-N. The full InChI is InChI=1S/C7H9F3N2.C2H6/c8-7(9,10)6(12)3-5(11)4-1-2-4;1-2/h3-4,12H,1-2,11H2;1-2H3/b5-3-,12-6-;.
What are the key properties of (Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane?
(Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane has a molecular weight of 208.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-4,4,4-trifluoro-3-iminobut-1-en-1-amine;ethane is sourced from PubChem (CID 145080423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).