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

C9H12F3N — CID 169163898

IUPAC(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
SMILESC=C(/C=C\C(=N\C)C(F)(F)F)CC
InChIInChI=1S/C9H12F3N/c1-4-7(2)5-6-8(13-3)9(10,11)12/h5-6H,2,4H2,1,3H3/b6-5-,13-8-
InChIKeyYJHMLTWEPQNXAE-YSALANINSA-N
MW191.20 g/mol
LogP3.14
Rot. Bonds3

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

(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine (PubChem CID 169163898) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
PubChem CID169163898
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
SMILESC=C(/C=C\C(=N\C)C(F)(F)F)CC
InChIInChI=1S/C9H12F3N/c1-4-7(2)5-6-8(13-3)9(10,11)12/h5-6H,2,4H2,1,3H3/b6-5-,13-8-
InChIKeyYJHMLTWEPQNXAE-YSALANINSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine (CID 169163898) is (Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine is C=C(/C=C\C(=N\C)C(F)(F)F)CC.
What is the InChIKey of (Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine?
The InChIKey is YJHMLTWEPQNXAE-YSALANINSA-N. The full InChI is InChI=1S/C9H12F3N/c1-4-7(2)5-6-8(13-3)9(10,11)12/h5-6H,2,4H2,1,3H3/b6-5-,13-8-.
What are the key properties of (Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine?
(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine has a molecular weight of 191.20 g/mol, XLogP of 3.14, 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-methyl-5-methylidenehept-3-en-2-imine is sourced from PubChem (CID 169163898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).