(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine

C9H12F3N — CID 135140839

IUPAC(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
SMILESC/C=C\C(=N\C(C)=C/C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-6-8(9(10,11)12)13-7(3)5-2/h4-6H,1-3H3/b6-4-,7-5-,13-8-
InChIKeyWJVCPMXLAUCOQI-ZELNWRDUSA-N
MW191.20 g/mol
LogP3.49
Rot. Bonds2

About (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine

(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine (PubChem CID 135140839) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
PubChem CID135140839
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
SMILESC/C=C\C(=N\C(C)=C/C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-6-8(9(10,11)12)13-7(3)5-2/h4-6H,1-3H3/b6-4-,7-5-,13-8-
InChIKeyWJVCPMXLAUCOQI-ZELNWRDUSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine?
The IUPAC name of (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine (CID 135140839) is (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine.
What is the SMILES notation for (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine?
The canonical SMILES for (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine is C/C=C\C(=N\C(C)=C/C)C(F)(F)F.
What is the InChIKey of (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine?
The InChIKey is WJVCPMXLAUCOQI-ZELNWRDUSA-N. The full InChI is InChI=1S/C9H12F3N/c1-4-6-8(9(10,11)12)13-7(3)5-2/h4-6H,1-3H3/b6-4-,7-5-,13-8-.
What are the key properties of (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine?
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine has a molecular weight of 191.20 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine is sourced from PubChem (CID 135140839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).