ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine

C11H15F6N — CID 167515096

IUPACethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine
SMILESC/C=C\C(=N\C(=C/C)C(F)(F)F)C(F)(F)F.CC
InChIInChI=1S/C9H9F6N.C2H6/c1-3-5-7(9(13,14)15)16-6(4-2)8(10,11)12;1-2/h3-5H,1-2H3;1-2H3/b5-3-,6-4-,16-7-;
InChIKeyVMLSLWGADUNWEX-WLSBBZKZSA-N
MW275.24 g/mol
LogP5.06
Rot. Bonds2

About ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine

ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine (PubChem CID 167515096) has the molecular formula C11H15F6N and a molecular weight of 275.24 g/mol. Its IUPAC name is ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine
PubChem CID167515096
Molecular FormulaC11H15F6N
Molecular Weight275.24 g/mol
Exact Mass275.11
IUPAC Nameethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine
SMILESC/C=C\C(=N\C(=C/C)C(F)(F)F)C(F)(F)F.CC
InChIInChI=1S/C9H9F6N.C2H6/c1-3-5-7(9(13,14)15)16-6(4-2)8(10,11)12;1-2/h3-5H,1-2H3;1-2H3/b5-3-,6-4-,16-7-;
InChIKeyVMLSLWGADUNWEX-WLSBBZKZSA-N
XLogP5.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.24
LogP ≤ 55.06
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;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine?
The IUPAC name of ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine (CID 167515096) is ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine?
The canonical SMILES for ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine is C/C=C\C(=N\C(=C/C)C(F)(F)F)C(F)(F)F.CC.
What is the InChIKey of ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine?
The InChIKey is VMLSLWGADUNWEX-WLSBBZKZSA-N. The full InChI is InChI=1S/C9H9F6N.C2H6/c1-3-5-7(9(13,14)15)16-6(4-2)8(10,11)12;1-2/h3-5H,1-2H3;1-2H3/b5-3-,6-4-,16-7-;.
What are the key properties of ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine?
ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine has a molecular weight of 275.24 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 167515096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).