(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine

C11H16F3N — CID 89228068

IUPAC(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=C(/C=C(CNC)\C(C)=C/C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-8(2)10(7-15-4)6-9(3)11(12,13)14/h5-6,15H,3,7H2,1-2,4H3/b8-5-,10-6-
InChIKeyNLZVQQISFKJRGN-UQZKWGPRSA-N
MW219.25 g/mol
LogP3.22
Rot. Bonds4

About (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine

(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine (PubChem CID 89228068) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
PubChem CID89228068
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=C(/C=C(CNC)\C(C)=C/C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-8(2)10(7-15-4)6-9(3)11(12,13)14/h5-6,15H,3,7H2,1-2,4H3/b8-5-,10-6-
InChIKeyNLZVQQISFKJRGN-UQZKWGPRSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
4-fluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 123939942
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 126710477
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
CID 129302973

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine (CID 89228068) is (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine is C=C(/C=C(CNC)\C(C)=C/C)C(F)(F)F.
What is the InChIKey of (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The InChIKey is NLZVQQISFKJRGN-UQZKWGPRSA-N. The full InChI is InChI=1S/C11H16F3N/c1-5-8(2)10(7-15-4)6-9(3)11(12,13)14/h5-6,15H,3,7H2,1-2,4H3/b8-5-,10-6-.
What are the key properties of (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine?
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine has a molecular weight of 219.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 89228068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).