(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine

C8H12F3N — CID 123199800

IUPAC(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
SMILESCC/C=C(C(\C)=N\C)/C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-5-7(6(2)12-3)8(9,10)11/h5H,4H2,1-3H3/b7-5+,12-6+
InChIKeyNVIJWZGGSOVSLH-YTEPGLGFSA-N
MW179.18 g/mol
LogP2.98
Rot. Bonds2

About (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine

(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine (PubChem CID 123199800) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
PubChem CID123199800
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
SMILESCC/C=C(C(\C)=N\C)/C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-5-7(6(2)12-3)8(9,10)11/h5H,4H2,1-3H3/b7-5+,12-6+
InChIKeyNVIJWZGGSOVSLH-YTEPGLGFSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
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
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine?
The IUPAC name of (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine (CID 123199800) is (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine.
What is the SMILES notation for (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine?
The canonical SMILES for (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine is CC/C=C(C(\C)=N\C)/C(F)(F)F.
What is the InChIKey of (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine?
The InChIKey is NVIJWZGGSOVSLH-YTEPGLGFSA-N. The full InChI is InChI=1S/C8H12F3N/c1-4-5-7(6(2)12-3)8(9,10)11/h5H,4H2,1-3H3/b7-5+,12-6+.
What are the key properties of (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine?
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine has a molecular weight of 179.18 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine is sourced from PubChem (CID 123199800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).