ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine

C11H20F3N — CID 153356202

IUPACethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
SMILESCC.CC/C=C(C(\CC)=N\C)/C(F)(F)F
InChIInChI=1S/C9H14F3N.C2H6/c1-4-6-7(9(10,11)12)8(5-2)13-3;1-2/h6H,4-5H2,1-3H3;1-2H3/b7-6+,13-8+;
InChIKeyNXUSUUQPRMJCJV-RHSGNJQSSA-N
MW223.28 g/mol
LogP4.39
Rot. Bonds3

About ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine

ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine (PubChem CID 153356202) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine.

Molecular Properties

Compound Nameethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
PubChem CID153356202
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Nameethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
SMILESCC.CC/C=C(C(\CC)=N\C)/C(F)(F)F
InChIInChI=1S/C9H14F3N.C2H6/c1-4-6-7(9(10,11)12)8(5-2)13-3;1-2/h6H,4-5H2,1-3H3;1-2H3/b7-6+,13-8+;
InChIKeyNXUSUUQPRMJCJV-RHSGNJQSSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.39
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)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
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
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine
CID 123240234
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(E)-3-(2-fluoropropan-2-yl)-N-methylpent-3-en-2-imine
CID 123828931
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine?
The IUPAC name of ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine (CID 153356202) is ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine.
What is the SMILES notation for ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine?
The canonical SMILES for ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine is CC.CC/C=C(C(\CC)=N\C)/C(F)(F)F.
What is the InChIKey of ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine?
The InChIKey is NXUSUUQPRMJCJV-RHSGNJQSSA-N. The full InChI is InChI=1S/C9H14F3N.C2H6/c1-4-6-7(9(10,11)12)8(5-2)13-3;1-2/h6H,4-5H2,1-3H3;1-2H3/b7-6+,13-8+;.
What are the key properties of ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine?
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine has a molecular weight of 223.28 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine is sourced from PubChem (CID 153356202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).