(3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine

C17H27F2N — CID 145289231

IUPAC(3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine
SMILESC=C(NCCC)C(/C=C/CCC)=C(/C=C\C)C(C)(F)F
InChIInChI=1S/C17H27F2N/c1-6-9-10-12-15(14(4)20-13-8-3)16(11-7-2)17(5,18)19/h7,10-12,20H,4,6,8-9,13H2,1-3,5H3/b11-7-,12-10+,16-15-
InChIKeyCHWYKJCOEAEHBC-NPBCZLELSA-N
MW283.41 g/mol
LogP5.38
Rot. Bonds9

About (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine

(3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine (PubChem CID 145289231) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine.

Molecular Properties

Compound Name(3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine
PubChem CID145289231
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine
SMILESC=C(NCCC)C(/C=C/CCC)=C(/C=C\C)C(C)(F)F
InChIInChI=1S/C17H27F2N/c1-6-9-10-12-15(14(4)20-13-8-3)16(11-7-2)17(5,18)19/h7,10-12,20H,4,6,8-9,13H2,1-3,5H3/b11-7-,12-10+,16-15-
InChIKeyCHWYKJCOEAEHBC-NPBCZLELSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine with MolForge

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Related Compounds

(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
(3Z,5Z)-6-methyl-2-N-[(4Z)-3-methylidene-6-(trifluoromethyl)hepta-1,4,6-trien-2-yl]octa-3,5,7-triene-2,3-diamine
CID 88998201
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
2-ethenyl-3-[(Z)-prop-1-enyl]-6-(trifluoromethyl)-1,2-dihydropyridine-4-thiol
CID 89153871
N-tert-butylsulfanyl-5-[[[(2E,4E)-6,6,6-trifluoro-2,5-dimethylhexa-2,4-dienyl]amino]methyl]cyclohepta-1,3,6-trien-1-amine
CID 89209217
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine
CID 126548953
(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine
CID 126586946
6-Propan-2-yl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 126671560
6-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 126694524
(Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine
CID 129044709

Frequently Asked Questions

What is the IUPAC name of (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine?
The IUPAC name of (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine (CID 145289231) is (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine.
What is the SMILES notation for (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine?
The canonical SMILES for (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine is C=C(NCCC)C(/C=C/CCC)=C(/C=C\C)C(C)(F)F.
What is the InChIKey of (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine?
The InChIKey is CHWYKJCOEAEHBC-NPBCZLELSA-N. The full InChI is InChI=1S/C17H27F2N/c1-6-9-10-12-15(14(4)20-13-8-3)16(11-7-2)17(5,18)19/h7,10-12,20H,4,6,8-9,13H2,1-3,5H3/b11-7-,12-10+,16-15-.
What are the key properties of (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine?
(3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine has a molecular weight of 283.41 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4E)-3-[(Z)-2,2-difluorohex-4-en-3-ylidene]-N-propylocta-1,4-dien-2-amine is sourced from PubChem (CID 145289231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).