N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine

C8H12F3N — CID 153254458

IUPACN,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine
SMILESC/N=C(\C)C(=C(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-5(2)7(6(3)12-4)8(9,10)11/h1-4H3/b12-6+
InChIKeyWTZGWKWTIRZJSF-WUXMJOGZSA-N
MW179.18 g/mol
LogP2.98
Rot. Bonds1

About N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine

N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine (PubChem CID 153254458) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine.

Molecular Properties

Compound NameN,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine
PubChem CID153254458
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC NameN,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine
SMILESC/N=C(\C)C(=C(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-5(2)7(6(3)12-4)8(9,10)11/h1-4H3/b12-6+
InChIKeyWTZGWKWTIRZJSF-WUXMJOGZSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine
CID 89153658
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
3,4-difluoro-N-methylhex-3-en-2-imine
CID 123282924
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
(2E)-2-butan-2-ylidene-1-N-(difluoromethyl)butane-1,3-diimine
CID 123486147
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
4-fluoro-N,3-dimethylpent-3-en-2-imine
CID 123892315

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine?
The IUPAC name of N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine (CID 153254458) is N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine.
What is the SMILES notation for N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine?
The canonical SMILES for N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine is C/N=C(\C)C(=C(C)C)C(F)(F)F.
What is the InChIKey of N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine?
The InChIKey is WTZGWKWTIRZJSF-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H12F3N/c1-5(2)7(6(3)12-4)8(9,10)11/h1-4H3/b12-6+.
What are the key properties of N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine?
N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine has a molecular weight of 179.18 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine is sourced from PubChem (CID 153254458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).