fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium

C18H32FN2+ — CID 169233609

IUPACfluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium
SMILESC/C=C/C=C\C(=C\C(/C(C)=C\NC)[N+](C)(C)CF)C(C)C
InChIInChI=1S/C18H32FN2/c1-8-9-10-11-17(15(2)3)12-18(16(4)13-20-5)21(6,7)14-19/h8-13,15,18,20H,14H2,1-7H3/q+1/b9-8+,11-10-,16-13-,17-12-
InChIKeyHERXNBYGYFGHML-ADQGHWTJSA-N
MW295.47 g/mol
LogP4.20
Rot. Bonds8

About fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium

fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium (PubChem CID 169233609) has the molecular formula C18H32FN2+ and a molecular weight of 295.47 g/mol. Its IUPAC name is fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium.

Molecular Properties

Compound Namefluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium
PubChem CID169233609
Molecular FormulaC18H32FN2+
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Namefluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium
SMILESC/C=C/C=C\C(=C\C(/C(C)=C\NC)[N+](C)(C)CF)C(C)C
InChIInChI=1S/C18H32FN2/c1-8-9-10-11-17(15(2)3)12-18(16(4)13-20-5)21(6,7)14-19/h8-13,15,18,20H,14H2,1-7H3/q+1/b9-8+,11-10-,16-13-,17-12-
InChIKeyHERXNBYGYFGHML-ADQGHWTJSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium?
The IUPAC name of fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium (CID 169233609) is fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium.
What is the SMILES notation for fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium?
The canonical SMILES for fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium is C/C=C/C=C\C(=C\C(/C(C)=C\NC)[N+](C)(C)CF)C(C)C.
What is the InChIKey of fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium?
The InChIKey is HERXNBYGYFGHML-ADQGHWTJSA-N. The full InChI is InChI=1S/C18H32FN2/c1-8-9-10-11-17(15(2)3)12-18(16(4)13-20-5)21(6,7)14-19/h8-13,15,18,20H,14H2,1-7H3/q+1/b9-8+,11-10-,16-13-,17-12-.
What are the key properties of fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium?
fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium has a molecular weight of 295.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl-dimethyl-[(1Z,4E,6Z,8E)-2-methyl-1-(methylamino)-5-propan-2-yldeca-1,4,6,8-tetraen-3-yl]azanium is sourced from PubChem (CID 169233609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).