2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine

C16H24FNO — CID 156867916

IUPAC2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
SMILESC=C(/C=C/C=C/C(=C\C=C\F)OC(C)CNC)CC
InChIInChI=1S/C16H24FNO/c1-5-14(2)9-6-7-10-16(11-8-12-17)19-15(3)13-18-4/h6-12,15,18H,2,5,13H2,1,3-4H3/b9-6+,10-7+,12-8+,16-11+
InChIKeyULSIZSYDNHYHCO-JFHSGANJSA-N
MW265.37 g/mol
LogP4.06
Rot. Bonds9

About 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine

2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine (PubChem CID 156867916) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
PubChem CID156867916
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine
SMILESC=C(/C=C/C=C/C(=C\C=C\F)OC(C)CNC)CC
InChIInChI=1S/C16H24FNO/c1-5-14(2)9-6-7-10-16(11-8-12-17)19-15(3)13-18-4/h6-12,15,18H,2,5,13H2,1,3-4H3/b9-6+,10-7+,12-8+,16-11+
InChIKeyULSIZSYDNHYHCO-JFHSGANJSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine with MolForge

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Related Compounds

3-[(2E,4E)-1,1,1-trifluoro-2-methylhepta-2,4-dien-4-yl]oxyazetidine
CID 89289287
1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 129015871
(E,2S)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224603
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224605
(E)-3-methyl-5-methylidene-N-[2-[6-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]oxyethyl]hept-3-en-1-amine
CID 141978555
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477
(3E,5Z,6Z,8E)-6-ethenyl-4-ethoxy-N-ethyl-5-ethylidene-7,9-difluoronona-3,6,8-trien-1-amine
CID 144087370
(2E,3E,6E,8E)-4-ethoxy-2-(2-ethoxyethylidene)-N-ethyl-9-fluoro-6-methylundeca-3,6,8,10-tetraen-1-amine
CID 144087386
N-methyl-1-[6-(trifluoromethyl)-2H-pyran-2-yl]methanamine
CID 162548456

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine?
The IUPAC name of 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine (CID 156867916) is 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine?
The canonical SMILES for 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine is C=C(/C=C/C=C/C(=C\C=C\F)OC(C)CNC)CC.
What is the InChIKey of 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine?
The InChIKey is ULSIZSYDNHYHCO-JFHSGANJSA-N. The full InChI is InChI=1S/C16H24FNO/c1-5-14(2)9-6-7-10-16(11-8-12-17)19-15(3)13-18-4/h6-12,15,18H,2,5,13H2,1,3-4H3/b9-6+,10-7+,12-8+,16-11+.
What are the key properties of 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine?
2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E,7E)-1-fluoro-9-methylideneundeca-1,3,5,7-tetraen-4-yl]oxy-N-methylpropan-1-amine is sourced from PubChem (CID 156867916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).