N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine

C9H11F4N — CID 167254228

IUPACN-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine
SMILESC=C(F)/C(=C(/C)N=C(C)C)C(F)(F)F
InChIInChI=1S/C9H11F4N/c1-5(2)14-7(4)8(6(3)10)9(11,12)13/h3H2,1-2,4H3/b8-7+
InChIKeyKJLFHZKVFVDVCO-BQYQJAHWSA-N
MW209.19 g/mol
LogP3.79
Rot. Bonds2

About N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine

N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine (PubChem CID 167254228) has the molecular formula C9H11F4N and a molecular weight of 209.19 g/mol. Its IUPAC name is N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine
PubChem CID167254228
Molecular FormulaC9H11F4N
Molecular Weight209.19 g/mol
Exact Mass209.08
IUPAC NameN-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine
SMILESC=C(F)/C(=C(/C)N=C(C)C)C(F)(F)F
InChIInChI=1S/C9H11F4N/c1-5(2)14-7(4)8(6(3)10)9(11,12)13/h3H2,1-2,4H3/b8-7+
InChIKeyKJLFHZKVFVDVCO-BQYQJAHWSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 53.79
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'}

Analyze N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-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

[(3Z,5Z)-2,4,5,7-tetrafluoro-6-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl] 2-methylprop-2-enoate
CID 143575227
ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine
CID 143677129
(4Z,6Z)-6-methyl-2-(trifluoromethyl)octa-1,4,6-triene
CID 143956336
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947
1-(propan-2-ylideneamino)ethenethiol
CID 121429128
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
CID 157459309
3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene
CID 20793151
2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride
CID 174047890
5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene
CID 137451352
2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
CID 145449100
(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane
CID 170732020
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
CID 169488452

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine?
The IUPAC name of N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine (CID 167254228) is N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine.
What is the SMILES notation for N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine?
The canonical SMILES for N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine is C=C(F)/C(=C(/C)N=C(C)C)C(F)(F)F.
What is the InChIKey of N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine?
The InChIKey is KJLFHZKVFVDVCO-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H11F4N/c1-5(2)14-7(4)8(6(3)10)9(11,12)13/h3H2,1-2,4H3/b8-7+.
What are the key properties of N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine?
N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine has a molecular weight of 209.19 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4-fluoro-3-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine is sourced from PubChem (CID 167254228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).