N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine

C10H15F3N2 — CID 166907334

IUPACN'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine
SMILES[H]/N=C/CC/C=N/C(=C(/C)CC)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-3-8(2)9(10(11,12)13)15-7-5-4-6-14/h6-7,14H,3-5H2,1-2H3/b9-8-,14-6+,15-7+
InChIKeyHHNWTYLTOCFMKF-MXGHTANRSA-N
MW220.24 g/mol
LogP3.73
Rot. Bonds5

About N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine

N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine (PubChem CID 166907334) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine.

Molecular Properties

Compound NameN'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine
PubChem CID166907334
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC NameN'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine
SMILES[H]/N=C/CC/C=N/C(=C(/C)CC)C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-3-8(2)9(10(11,12)13)15-7-5-4-6-14/h6-7,14H,3-5H2,1-2H3/b9-8-,14-6+,15-7+
InChIKeyHHNWTYLTOCFMKF-MXGHTANRSA-N
XLogP3.73
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine?
The IUPAC name of N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine (CID 166907334) is N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine.
What is the SMILES notation for N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine?
The canonical SMILES for N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine is [H]/N=C/CC/C=N/C(=C(/C)CC)C(F)(F)F.
What is the InChIKey of N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine?
The InChIKey is HHNWTYLTOCFMKF-MXGHTANRSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-3-8(2)9(10(11,12)13)15-7-5-4-6-14/h6-7,14H,3-5H2,1-2H3/b9-8-,14-6+,15-7+.
What are the key properties of N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine?
N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine has a molecular weight of 220.24 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine is sourced from PubChem (CID 166907334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).