butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine

C11H20F3N — CID 178040622

IUPACbutane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
SMILESC/C=C(C(\C)=N\C)/C(F)(F)F.CCCC
InChIInChI=1S/C7H10F3N.C4H10/c1-4-6(5(2)11-3)7(8,9)10;1-3-4-2/h4H,1-3H3;3-4H2,1-2H3/b6-4+,11-5+;
InChIKeyMQBMNUHBQJCOQN-SYEVNBJJSA-N
MW223.28 g/mol
LogP4.39
Rot. Bonds2

About butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine

butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine (PubChem CID 178040622) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine.

Molecular Properties

Compound Namebutane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
PubChem CID178040622
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Namebutane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
SMILESC/C=C(C(\C)=N\C)/C(F)(F)F.CCCC
InChIInChI=1S/C7H10F3N.C4H10/c1-4-6(5(2)11-3)7(8,9)10;1-3-4-2/h4H,1-3H3;3-4H2,1-2H3/b6-4+,11-5+;
InChIKeyMQBMNUHBQJCOQN-SYEVNBJJSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-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
(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
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830

Frequently Asked Questions

What is the IUPAC name of butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine?
The IUPAC name of butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine (CID 178040622) is butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine.
What is the SMILES notation for butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine?
The canonical SMILES for butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine is C/C=C(C(\C)=N\C)/C(F)(F)F.CCCC.
What is the InChIKey of butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine?
The InChIKey is MQBMNUHBQJCOQN-SYEVNBJJSA-N. The full InChI is InChI=1S/C7H10F3N.C4H10/c1-4-6(5(2)11-3)7(8,9)10;1-3-4-2/h4H,1-3H3;3-4H2,1-2H3/b6-4+,11-5+;.
What are the key properties of butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine?
butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine has a molecular weight of 223.28 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine is sourced from PubChem (CID 178040622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).