(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine

C9H14F3N — CID 167146607

IUPAC(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine
SMILESCCC(C)/C=C\C(=N\C)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-4-7(2)5-6-8(13-3)9(10,11)12/h5-7H,4H2,1-3H3/b6-5-,13-8-
InChIKeyLDFPZOAHOUVFBI-YSALANINSA-N
MW193.21 g/mol
LogP3.22
Rot. Bonds3

About (Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine

(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine (PubChem CID 167146607) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine
PubChem CID167146607
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine
SMILESCCC(C)/C=C\C(=N\C)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-4-7(2)5-6-8(13-3)9(10,11)12/h5-7H,4H2,1-3H3/b6-5-,13-8-
InChIKeyLDFPZOAHOUVFBI-YSALANINSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.22
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)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine (CID 167146607) is (Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine is CCC(C)/C=C\C(=N\C)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine?
The InChIKey is LDFPZOAHOUVFBI-YSALANINSA-N. The full InChI is InChI=1S/C9H14F3N/c1-4-7(2)5-6-8(13-3)9(10,11)12/h5-7H,4H2,1-3H3/b6-5-,13-8-.
What are the key properties of (Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine?
(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine has a molecular weight of 193.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine is sourced from PubChem (CID 167146607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).