(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine

C7H9F4N — CID 166104491

IUPAC(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine
SMILESCC/C=C(F)\C(=N/C)C(F)(F)F
InChIInChI=1S/C7H9F4N/c1-3-4-5(8)6(12-2)7(9,10)11/h4H,3H2,1-2H3/b5-4+,12-6+
InChIKeySJZCHWLEXYPFNH-ICLXBRQCSA-N
MW183.15 g/mol
LogP2.88
Rot. Bonds2

About (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine

(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine (PubChem CID 166104491) has the molecular formula C7H9F4N and a molecular weight of 183.15 g/mol. Its IUPAC name is (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine
PubChem CID166104491
Molecular FormulaC7H9F4N
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine
SMILESCC/C=C(F)\C(=N/C)C(F)(F)F
InChIInChI=1S/C7H9F4N/c1-3-4-5(8)6(12-2)7(9,10)11/h4H,3H2,1-2H3/b5-4+,12-6+
InChIKeySJZCHWLEXYPFNH-ICLXBRQCSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1,1,1-trifluoro-2-methyliminohex-3-en-3-ol
CID 166104999
(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116
(E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene
CID 167058020
(Z)-5,5,5-trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
CID 162549135
(Z)-4-(trifluoromethyl)hept-3-ene
CID 174331610
acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene
CID 143818434
(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
CID 142166676
1,1-difluorobut-1-ene;propane
CID 54149650
ethyl (E)-2-[N-methyl-C-(trifluoromethyl)carbonimidoyl]but-2-enoate;2-methylpropane
CID 143575654
(3Z,5Z)-2-fluoro-2,5-dimethylocta-3,5-diene
CID 138465029
1,1,1-trifluoro-3-(2,2,2-trifluoroethyl)hex-3-ene
CID 146174874
(E)-1-fluorobut-1-en-1-amine
CID 174005766

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine?
The IUPAC name of (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine (CID 166104491) is (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine?
The canonical SMILES for (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine is CC/C=C(F)\C(=N/C)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine?
The InChIKey is SJZCHWLEXYPFNH-ICLXBRQCSA-N. The full InChI is InChI=1S/C7H9F4N/c1-3-4-5(8)6(12-2)7(9,10)11/h4H,3H2,1-2H3/b5-4+,12-6+.
What are the key properties of (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine?
(E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine has a molecular weight of 183.15 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,3-tetrafluoro-N-methylhex-3-en-2-imine is sourced from PubChem (CID 166104491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).