ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine

C12H20F3N — CID 144801043

IUPACethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
SMILESC/C=C\N=C(/C=C\C)CCC(F)(F)F.CC
InChIInChI=1S/C10H14F3N.C2H6/c1-3-5-9(14-8-4-2)6-7-10(11,12)13;1-2/h3-5,8H,6-7H2,1-2H3;1-2H3/b5-3-,8-4-,14-9+;
InChIKeyIOIWJDZADLIVOB-CVNTUJNESA-N
MW235.29 g/mol
LogP4.91
Rot. Bonds4

About ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine

ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine (PubChem CID 144801043) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine.

Molecular Properties

Compound Nameethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
PubChem CID144801043
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Nameethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
SMILESC/C=C\N=C(/C=C\C)CCC(F)(F)F.CC
InChIInChI=1S/C10H14F3N.C2H6/c1-3-5-9(14-8-4-2)6-7-10(11,12)13;1-2/h3-5,8H,6-7H2,1-2H3;1-2H3/b5-3-,8-4-,14-9+;
InChIKeyIOIWJDZADLIVOB-CVNTUJNESA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.91
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)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine?
The IUPAC name of ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine (CID 144801043) is ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine.
What is the SMILES notation for ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine?
The canonical SMILES for ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine is C/C=C\N=C(/C=C\C)CCC(F)(F)F.CC.
What is the InChIKey of ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine?
The InChIKey is IOIWJDZADLIVOB-CVNTUJNESA-N. The full InChI is InChI=1S/C10H14F3N.C2H6/c1-3-5-9(14-8-4-2)6-7-10(11,12)13;1-2/h3-5,8H,6-7H2,1-2H3;1-2H3/b5-3-,8-4-,14-9+;.
What are the key properties of ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine?
ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine has a molecular weight of 235.29 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine is sourced from PubChem (CID 144801043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).