(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine

C9H12F3N — CID 123834038

IUPAC(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
SMILESC=C/C(C)=C/C=N/CCC(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-8(2)4-6-13-7-5-9(10,11)12/h3-4,6H,1,5,7H2,2H3/b8-4+,13-6+
InChIKeyUHKNPNLPRIHHBI-OUMYDGPMSA-N
MW191.20 g/mol
LogP3.14
Rot. Bonds4

About (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine

(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine (PubChem CID 123834038) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
PubChem CID123834038
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
SMILESC=C/C(C)=C/C=N/CCC(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-8(2)4-6-13-7-5-9(10,11)12/h3-4,6H,1,5,7H2,2H3/b8-4+,13-6+
InChIKeyUHKNPNLPRIHHBI-OUMYDGPMSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
(2E)-2,4-difluoro-N,3-dimethylpenta-2,4-dien-1-imine
CID 88236272
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(E)-2-ethenyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine
CID 134466278
(E)-N-ethyl-4,4,4-trifluoro-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 134466405

Frequently Asked Questions

What is the IUPAC name of (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine?
The IUPAC name of (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine (CID 123834038) is (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine is C=C/C(C)=C/C=N/CCC(F)(F)F.
What is the InChIKey of (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine?
The InChIKey is UHKNPNLPRIHHBI-OUMYDGPMSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-8(2)4-6-13-7-5-9(10,11)12/h3-4,6H,1,5,7H2,2H3/b8-4+,13-6+.
What are the key properties of (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine?
(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine has a molecular weight of 191.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 123834038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).