methyl(17-phenylheptadecyl)azanium fluoride

C24H44FN — CID 163283532

IUPACmethyl(17-phenylheptadecyl)azanium fluoride
SMILESC[NH2+]CCCCCCCCCCCCCCCCCc1ccccc1.[F-]
InChIInChI=1S/C24H43N.FH/c1-25-23-19-14-12-10-8-6-4-2-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24;/h15,17-18,21-22,25H,2-14,16,19-20,23H2,1H3;1H
InChIKeyQICQCUBBXZWTRJ-UHFFFAOYSA-N
MW365.62 g/mol
LogP3.28
Rot. Bonds18

About methyl(17-phenylheptadecyl)azanium fluoride

methyl(17-phenylheptadecyl)azanium fluoride (PubChem CID 163283532) has the molecular formula C24H44FN and a molecular weight of 365.62 g/mol. Its IUPAC name is methyl(17-phenylheptadecyl)azanium fluoride.

Molecular Properties

Compound Namemethyl(17-phenylheptadecyl)azanium fluoride
PubChem CID163283532
Molecular FormulaC24H44FN
Molecular Weight365.62 g/mol
Exact Mass365.35
IUPAC Namemethyl(17-phenylheptadecyl)azanium fluoride
SMILESC[NH2+]CCCCCCCCCCCCCCCCCc1ccccc1.[F-]
InChIInChI=1S/C24H43N.FH/c1-25-23-19-14-12-10-8-6-4-2-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24;/h15,17-18,21-22,25H,2-14,16,19-20,23H2,1H3;1H
InChIKeyQICQCUBBXZWTRJ-UHFFFAOYSA-N
XLogP3.28
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.62
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
azane;tetradecylbenzene
CID 70503489
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423

Frequently Asked Questions

What is the IUPAC name of methyl(17-phenylheptadecyl)azanium fluoride?
The IUPAC name of methyl(17-phenylheptadecyl)azanium fluoride (CID 163283532) is methyl(17-phenylheptadecyl)azanium fluoride.
What is the SMILES notation for methyl(17-phenylheptadecyl)azanium fluoride?
The canonical SMILES for methyl(17-phenylheptadecyl)azanium fluoride is C[NH2+]CCCCCCCCCCCCCCCCCc1ccccc1.[F-].
What is the InChIKey of methyl(17-phenylheptadecyl)azanium fluoride?
The InChIKey is QICQCUBBXZWTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N.FH/c1-25-23-19-14-12-10-8-6-4-2-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24;/h15,17-18,21-22,25H,2-14,16,19-20,23H2,1H3;1H.
What are the key properties of methyl(17-phenylheptadecyl)azanium fluoride?
methyl(17-phenylheptadecyl)azanium fluoride has a molecular weight of 365.62 g/mol, XLogP of 3.28, 18 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(17-phenylheptadecyl)azanium fluoride is sourced from PubChem (CID 163283532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).