(3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine

C12H18F3N — CID 135278163

IUPAC(3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine
SMILESC=C(CC)NC(/C=C\CC(F)(F)F)=C/CC
InChIInChI=1S/C12H18F3N/c1-4-7-11(16-10(3)5-2)8-6-9-12(13,14)15/h6-8,16H,3-5,9H2,1-2H3/b8-6-,11-7+
InChIKeyYQNUGQWAJBIJIW-FAWHLJIPSA-N
MW233.28 g/mol
LogP4.30
Rot. Bonds6

About (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine

(3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine (PubChem CID 135278163) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine
PubChem CID135278163
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine
SMILESC=C(CC)NC(/C=C\CC(F)(F)F)=C/CC
InChIInChI=1S/C12H18F3N/c1-4-7-11(16-10(3)5-2)8-6-9-12(13,14)15/h6-8,16H,3-5,9H2,1-2H3/b8-6-,11-7+
InChIKeyYQNUGQWAJBIJIW-FAWHLJIPSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 54.30
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,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine
CID 130329197
(4Z)-3-[(1Z)-3-fluorobuta-1,3-dienyl]-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
CID 130452057
(4Z)-3-[(1E)-2-fluorobuta-1,3-dienyl]-2-methyl-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
CID 132093844
(4Z)-2-ethenyl-3-[(E)-2-fluoroprop-1-enyl]-5-methylidene-4-[(2Z)-penta-2,4-dienylidene]-1H-pyrrole
CID 134351249
(3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine
CID 139522061
(2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine
CID 143108367
(2Z,5E)-N-buta-1,3-dien-2-yl-6-fluoro-4-methylhepta-2,5-dien-2-amine
CID 144181913
Ethane;2-methyl-6-(trifluoromethyl)-1,2-dihydropyridine
CID 144521528
(2E,4Z)-N-butan-2-yl-6,6-difluorohepta-2,4-dien-3-amine
CID 146586088
(3E)-N-(2,2,2-trifluoroethyl)hexa-3,5-dien-3-amine
CID 148396474
(4Z)-3-[(1Z)-buta-1,3-dienyl]-4-[(2E)-3-fluoropenta-2,4-dienylidene]-2-methyl-5-methylidene-1H-pyrrole
CID 155048909
(4Z)-4-[(Z)-but-2-enylidene]-3-[(1E)-2-fluorobuta-1,3-dienyl]-2-methyl-5-methylidene-1H-pyrrole
CID 155148513

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine?
The IUPAC name of (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine (CID 135278163) is (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine.
What is the SMILES notation for (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine?
The canonical SMILES for (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine is C=C(CC)NC(/C=C\CC(F)(F)F)=C/CC.
What is the InChIKey of (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine?
The InChIKey is YQNUGQWAJBIJIW-FAWHLJIPSA-N. The full InChI is InChI=1S/C12H18F3N/c1-4-7-11(16-10(3)5-2)8-6-9-12(13,14)15/h6-8,16H,3-5,9H2,1-2H3/b8-6-,11-7+.
What are the key properties of (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine?
(3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine has a molecular weight of 233.28 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-but-1-en-2-yl-8,8,8-trifluoroocta-3,5-dien-4-amine is sourced from PubChem (CID 135278163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).