fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium

C11H23FNO+ — CID 123242401

IUPACfluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium
SMILESCCC=C(CCCC(C)NC)[O+](C)F
InChIInChI=1S/C11H23FNO/c1-5-7-11(14(4)12)9-6-8-10(2)13-3/h7,10,13H,5-6,8-9H2,1-4H3/q+1
InChIKeyCGTRJWUPFFVBHB-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.13
Rot. Bonds7

About fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium

fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium (PubChem CID 123242401) has the molecular formula C11H23FNO+ and a molecular weight of 204.31 g/mol. Its IUPAC name is fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium.

Molecular Properties

Compound Namefluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium
PubChem CID123242401
Molecular FormulaC11H23FNO+
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Namefluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium
SMILESCCC=C(CCCC(C)NC)[O+](C)F
InChIInChI=1S/C11H23FNO/c1-5-7-11(14(4)12)9-6-8-10(2)13-3/h7,10,13H,5-6,8-9H2,1-4H3/q+1
InChIKeyCGTRJWUPFFVBHB-UHFFFAOYSA-N
XLogP3.13
TPSA14.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-methoxy-N-propyloct-6-en-4-amine
CID 141995083
(E)-6-methoxy-N-methylnon-6-en-1-amine
CID 174273360
(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine
CID 177319970

Frequently Asked Questions

What is the IUPAC name of fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium?
The IUPAC name of fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium (CID 123242401) is fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium.
What is the SMILES notation for fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium?
The canonical SMILES for fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium is CCC=C(CCCC(C)NC)[O+](C)F.
What is the InChIKey of fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium?
The InChIKey is CGTRJWUPFFVBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FNO/c1-5-7-11(14(4)12)9-6-8-10(2)13-3/h7,10,13H,5-6,8-9H2,1-4H3/q+1.
What are the key properties of fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium?
fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium has a molecular weight of 204.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium is sourced from PubChem (CID 123242401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).