(E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile

C10H8F6N2 — CID 166905225

IUPAC(E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile
SMILESC=C(/N=C(/C=C(\C)CC#N)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6N2/c1-6(3-4-17)5-8(10(14,15)16)18-7(2)9(11,12)13/h5H,2-3H2,1H3/b6-5+,18-8-
InChIKeyJQKBACGHICRFRT-QYZIKYIRSA-N
MW270.18 g/mol
LogP3.93
Rot. Bonds3

About (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile

(E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile (PubChem CID 166905225) has the molecular formula C10H8F6N2 and a molecular weight of 270.18 g/mol. Its IUPAC name is (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile.

Molecular Properties

Compound Name(E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile
PubChem CID166905225
Molecular FormulaC10H8F6N2
Molecular Weight270.18 g/mol
Exact Mass270.06
IUPAC Name(E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile
SMILESC=C(/N=C(/C=C(\C)CC#N)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6N2/c1-6(3-4-17)5-8(10(14,15)16)18-7(2)9(11,12)13/h5H,2-3H2,1H3/b6-5+,18-8-
InChIKeyJQKBACGHICRFRT-QYZIKYIRSA-N
XLogP3.93
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 53.93
H-Bond Donors ≤ 50
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 (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile?
The IUPAC name of (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile (CID 166905225) is (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile.
What is the SMILES notation for (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile?
The canonical SMILES for (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile is C=C(/N=C(/C=C(\C)CC#N)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile?
The InChIKey is JQKBACGHICRFRT-QYZIKYIRSA-N. The full InChI is InChI=1S/C10H8F6N2/c1-6(3-4-17)5-8(10(14,15)16)18-7(2)9(11,12)13/h5H,2-3H2,1H3/b6-5+,18-8-.
What are the key properties of (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile?
(E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile has a molecular weight of 270.18 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,6-trifluoro-3-methyl-5-(3,3,3-trifluoroprop-1-en-2-ylimino)hex-3-enenitrile is sourced from PubChem (CID 166905225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).