17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate

C19H40F3N3O2 — CID 177027395

IUPAC17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate
SMILESNNCCCCCCCCCCCCCCCCC[NH3+].O=C([O-])C(F)(F)F
InChIInChI=1S/C17H39N3.C2HF3O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-19;3-2(4,5)1(6)7/h20H,1-19H2;(H,6,7)
InChIKeyOJECBHHLQQIHHF-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.84
Rot. Bonds17

About 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate

17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate (PubChem CID 177027395) has the molecular formula C19H40F3N3O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate
PubChem CID177027395
Molecular FormulaC19H40F3N3O2
Molecular Weight399.54 g/mol
Exact Mass399.31
IUPAC Name17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate
SMILESNNCCCCCCCCCCCCCCCCC[NH3+].O=C([O-])C(F)(F)F
InChIInChI=1S/C17H39N3.C2HF3O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-19;3-2(4,5)1(6)7/h20H,1-19H2;(H,6,7)
InChIKeyOJECBHHLQQIHHF-UHFFFAOYSA-N
XLogP2.84
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-azaniumylbutyl)carbamate
CID 119096052
carbamoylazanium;2,2,2-trifluoroacetate
CID 139614468
7-hydrazinylheptanamide
CID 22099097
2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate
CID 145379649
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
6-(tritylamino)hexylazanium acetate
CID 171034868
6-azaniumylhexylazanium;pentanedioate
CID 22482637
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
oxygen(2-);titanium(4+);2,2,2-trifluoroacetate
CID 157418814

Frequently Asked Questions

What is the IUPAC name of 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate?
The IUPAC name of 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate (CID 177027395) is 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate is NNCCCCCCCCCCCCCCCCC[NH3+].O=C([O-])C(F)(F)F.
What is the InChIKey of 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate?
The InChIKey is OJECBHHLQQIHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3.C2HF3O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-19;3-2(4,5)1(6)7/h20H,1-19H2;(H,6,7).
What are the key properties of 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate?
17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate has a molecular weight of 399.54 g/mol, XLogP of 2.84, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydrazinylheptadecylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 177027395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).