(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine

C13H20F3N — CID 123203347

IUPAC(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine
SMILESCCC(/N=C(C)/C=C\C(C)C)=C(C)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-6-12(11(5)13(14,15)16)17-10(4)8-7-9(2)3/h7-9H,6H2,1-5H3/b8-7-,12-11?,17-10+
InChIKeyBQHCUPTXUIXLTB-GJTIPTGRSA-N
MW247.30 g/mol
LogP4.91
Rot. Bonds4

About (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine

(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine (PubChem CID 123203347) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine
PubChem CID123203347
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine
SMILESCCC(/N=C(C)/C=C\C(C)C)=C(C)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-6-12(11(5)13(14,15)16)17-10(4)8-7-9(2)3/h7-9H,6H2,1-5H3/b8-7-,12-11?,17-10+
InChIKeyBQHCUPTXUIXLTB-GJTIPTGRSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
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 (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine?
The IUPAC name of (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine (CID 123203347) is (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine.
What is the SMILES notation for (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine?
The canonical SMILES for (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine is CCC(/N=C(C)/C=C\C(C)C)=C(C)C(F)(F)F.
What is the InChIKey of (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine?
The InChIKey is BQHCUPTXUIXLTB-GJTIPTGRSA-N. The full InChI is InChI=1S/C13H20F3N/c1-6-12(11(5)13(14,15)16)17-10(4)8-7-9(2)3/h7-9H,6H2,1-5H3/b8-7-,12-11?,17-10+.
What are the key properties of (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine?
(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine has a molecular weight of 247.30 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 (Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine is sourced from PubChem (CID 123203347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).