ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine

C11H18F3N — CID 144801050

IUPACethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
SMILESC=C/C(CCC(F)(F)F)=N\C=C/C.CC
InChIInChI=1S/C9H12F3N.C2H6/c1-3-7-13-8(4-2)5-6-9(10,11)12;1-2/h3-4,7H,2,5-6H2,1H3;1-2H3/b7-3-,13-8+;
InChIKeyUCCGOSHOVVALOA-NSFONHHUSA-N
MW221.27 g/mol
LogP4.52
Rot. Bonds4

About ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine

ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine (PubChem CID 144801050) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine.

Molecular Properties

Compound Nameethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
PubChem CID144801050
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Nameethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
SMILESC=C/C(CCC(F)(F)F)=N\C=C/C.CC
InChIInChI=1S/C9H12F3N.C2H6/c1-3-7-13-8(4-2)5-6-9(10,11)12;1-2/h3-4,7H,2,5-6H2,1H3;1-2H3/b7-3-,13-8+;
InChIKeyUCCGOSHOVVALOA-NSFONHHUSA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 54.52
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 ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine?
The IUPAC name of ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine (CID 144801050) is ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine.
What is the SMILES notation for ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine?
The canonical SMILES for ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine is C=C/C(CCC(F)(F)F)=N\C=C/C.CC.
What is the InChIKey of ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine?
The InChIKey is UCCGOSHOVVALOA-NSFONHHUSA-N. The full InChI is InChI=1S/C9H12F3N.C2H6/c1-3-7-13-8(4-2)5-6-9(10,11)12;1-2/h3-4,7H,2,5-6H2,1H3;1-2H3/b7-3-,13-8+;.
What are the key properties of ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine?
ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine has a molecular weight of 221.27 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine is sourced from PubChem (CID 144801050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).