(E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine

C8H11F4N — CID 142448493

IUPAC(E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine
SMILESCC/N=C(C(\C)=C(/C)F)/C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-4-13-7(8(10,11)12)5(2)6(3)9/h4H2,1-3H3/b6-5+,13-7+
InChIKeyJECPCWDHZTZXCK-WOXAVFRBSA-N
MW197.17 g/mol
LogP3.27
Rot. Bonds2

About (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine

(E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine (PubChem CID 142448493) has the molecular formula C8H11F4N and a molecular weight of 197.17 g/mol. Its IUPAC name is (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine
PubChem CID142448493
Molecular FormulaC8H11F4N
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name(E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine
SMILESCC/N=C(C(\C)=C(/C)F)/C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-4-13-7(8(10,11)12)5(2)6(3)9/h4H2,1-3H3/b6-5+,13-7+
InChIKeyJECPCWDHZTZXCK-WOXAVFRBSA-N
XLogP3.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 53.27
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
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
4-Fluoro-5-methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 91406813
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
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-methyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 145431803
(E)-5,5,5-trifluoro-N,3,4-trimethylpent-3-en-2-imine
CID 145644306

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine?
The IUPAC name of (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine (CID 142448493) is (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine?
The canonical SMILES for (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine is CC/N=C(C(\C)=C(/C)F)/C(F)(F)F.
What is the InChIKey of (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine?
The InChIKey is JECPCWDHZTZXCK-WOXAVFRBSA-N. The full InChI is InChI=1S/C8H11F4N/c1-4-13-7(8(10,11)12)5(2)6(3)9/h4H2,1-3H3/b6-5+,13-7+.
What are the key properties of (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine?
(E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine has a molecular weight of 197.17 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-1,1,1,4-tetrafluoro-3-methylpent-3-en-2-imine is sourced from PubChem (CID 142448493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).