(Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine

C9H10F6N2 — CID 162595351

IUPAC(Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C(=C(C(\C)=N\C)/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6N2/c1-4(16)6(8(10,11)12)7(5(2)17-3)9(13,14)15/h16H,1-3H3/b7-6-,16-4+,17-5+
InChIKeyIZZGPCKTLSTUJI-DTLJBDGYSA-N
MW260.18 g/mol
LogP3.54
Rot. Bonds2

About (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine

(Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine (PubChem CID 162595351) has the molecular formula C9H10F6N2 and a molecular weight of 260.18 g/mol. Its IUPAC name is (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine
PubChem CID162595351
Molecular FormulaC9H10F6N2
Molecular Weight260.18 g/mol
Exact Mass260.07
IUPAC Name(Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C(=C(C(\C)=N\C)/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6N2/c1-4(16)6(8(10,11)12)7(5(2)17-3)9(13,14)15/h16H,1-3H3/b7-6-,16-4+,17-5+
InChIKeyIZZGPCKTLSTUJI-DTLJBDGYSA-N
XLogP3.54
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
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 (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine?
The IUPAC name of (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine (CID 162595351) is (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine?
The canonical SMILES for (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine is [H]/N=C(C)/C(=C(C(\C)=N\C)/C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine?
The InChIKey is IZZGPCKTLSTUJI-DTLJBDGYSA-N. The full InChI is InChI=1S/C9H10F6N2/c1-4(16)6(8(10,11)12)7(5(2)17-3)9(13,14)15/h16H,1-3H3/b7-6-,16-4+,17-5+.
What are the key properties of (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine?
(Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine has a molecular weight of 260.18 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine is sourced from PubChem (CID 162595351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).