(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide

C11H10F6N2 — CID 170098114

IUPAC(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide
SMILESCC/C=C(/N=C(C#N)/C=C(\C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2/c1-3-4-9(11(15,16)17)19-8(6-18)5-7(2)10(12,13)14/h4-5H,3H2,1-2H3/b7-5+,9-4+,19-8-
InChIKeyYUBHQXVUKFQNTB-GQMDDOFXSA-N
MW284.20 g/mol
LogP4.32
Rot. Bonds3

About (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide

(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide (PubChem CID 170098114) has the molecular formula C11H10F6N2 and a molecular weight of 284.20 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide
PubChem CID170098114
Molecular FormulaC11H10F6N2
Molecular Weight284.20 g/mol
Exact Mass284.07
IUPAC Name(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide
SMILESCC/C=C(/N=C(C#N)/C=C(\C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6N2/c1-3-4-9(11(15,16)17)19-8(6-18)5-7(2)10(12,13)14/h4-5H,3H2,1-2H3/b7-5+,9-4+,19-8-
InChIKeyYUBHQXVUKFQNTB-GQMDDOFXSA-N
XLogP4.32
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.32
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)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide?
The IUPAC name of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide (CID 170098114) is (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide.
What is the SMILES notation for (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide?
The canonical SMILES for (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide is CC/C=C(/N=C(C#N)/C=C(\C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide?
The InChIKey is YUBHQXVUKFQNTB-GQMDDOFXSA-N. The full InChI is InChI=1S/C11H10F6N2/c1-3-4-9(11(15,16)17)19-8(6-18)5-7(2)10(12,13)14/h4-5H,3H2,1-2H3/b7-5+,9-4+,19-8-.
What are the key properties of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide?
(E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide has a molecular weight of 284.20 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-3-methyl-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-enimidoyl cyanide is sourced from PubChem (CID 170098114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).