(E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine

C9H12F3N — CID 134466502

IUPAC(E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)C(/C=N/C)=C(/C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-6(2)8(5-13-4)7(3)9(10,11)12/h5H,1H2,2-4H3/b8-7-,13-5+
InChIKeyNOHKMGYKCPDKLV-XYGSGGKESA-N
MW191.20 g/mol
LogP3.14
Rot. Bonds2

About (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine

(E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 134466502) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID134466502
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)C(/C=N/C)=C(/C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-6(2)8(5-13-4)7(3)9(10,11)12/h5H,1H2,2-4H3/b8-7-,13-5+
InChIKeyNOHKMGYKCPDKLV-XYGSGGKESA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

(2E)-2,4-difluoro-N,3-dimethylpenta-2,4-dien-1-imine
CID 88236272
(2E)-4-methyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 89528015
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-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
2-[[(E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enylidene]amino]ethanethial
CID 123528785
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
3,3-difluoro-N-methyl-2-methylidenebutan-1-imine
CID 123703338
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
CID 123834038
(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine
CID 130390089

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine (CID 134466502) is (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)C(/C=N/C)=C(/C)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is NOHKMGYKCPDKLV-XYGSGGKESA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(2)8(5-13-4)7(3)9(10,11)12/h5H,1H2,2-4H3/b8-7-,13-5+.
What are the key properties of (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine?
(E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 191.20 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 134466502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).