(E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine

C9H14F3N — CID 143873906

IUPAC(E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine
SMILESCC/C(C)=C(C)/C(=N\C)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-5-6(2)7(3)8(13-4)9(10,11)12/h5H2,1-4H3/b7-6+,13-8+
InChIKeyZJAKMNAGVJLHBM-GTTXMNNRSA-N
MW193.21 g/mol
LogP3.37
Rot. Bonds2

About (E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine

(E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine (PubChem CID 143873906) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine
PubChem CID143873906
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine
SMILESCC/C(C)=C(C)/C(=N\C)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-5-6(2)7(3)8(13-4)9(10,11)12/h5H2,1-4H3/b7-6+,13-8+
InChIKeyZJAKMNAGVJLHBM-GTTXMNNRSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.37
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)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine
CID 89153658
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
4-fluoro-N,3-dimethylpent-3-en-2-imine
CID 123892315
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
6-(1,1-Difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine
CID 123923241
(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
CID 123999875
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
6-(Difluoromethyl)-4-fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 139526386
(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 142438884
(E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine
CID 142448493
(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 145431803

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine?
The IUPAC name of (E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine (CID 143873906) is (E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine?
The canonical SMILES for (E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine is CC/C(C)=C(C)/C(=N\C)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine?
The InChIKey is ZJAKMNAGVJLHBM-GTTXMNNRSA-N. The full InChI is InChI=1S/C9H14F3N/c1-5-6(2)7(3)8(13-4)9(10,11)12/h5H2,1-4H3/b7-6+,13-8+.
What are the key properties of (E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine?
(E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine has a molecular weight of 193.21 g/mol, XLogP of 3.37, 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-trifluoro-N,3,4-trimethylhex-3-en-2-imine is sourced from PubChem (CID 143873906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).