CID 86295599

C14H16F2N5P — CID 86295599

IUPAC—
SMILESCCCC[n+]1cccc(C)c1.N#C[P-](F)(F)(C#N)(C#N)C#N
InChIInChI=1S/C10H16N.C4F2N4P/c1-3-4-7-11-8-5-6-10(2)9-11;5-11(6,1-7,2-8,3-9)4-10/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1
InChIKeyUDTYOYSNGOLWDS-UHFFFAOYSA-N
MW323.29 g/mol
LogP3.85
Rot. Bonds3

About CID 86295599

CID 86295599 (PubChem CID 86295599) has the molecular formula C14H16F2N5P and a molecular weight of 323.29 g/mol.

Molecular Properties

Compound NameCID 86295599
PubChem CID86295599
Molecular FormulaC14H16F2N5P
Molecular Weight323.29 g/mol
Exact Mass323.11
IUPAC Name—
SMILESCCCC[n+]1cccc(C)c1.N#C[P-](F)(F)(C#N)(C#N)C#N
InChIInChI=1S/C10H16N.C4F2N4P/c1-3-4-7-11-8-5-6-10(2)9-11;5-11(6,1-7,2-8,3-9)4-10/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1
InChIKeyUDTYOYSNGOLWDS-UHFFFAOYSA-N
XLogP3.85
TPSA99.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methylpyridin-1-ium chloride
CID 19876500
1-butyl-3-methylpyridin-1-ium;molecular bromine;bromide
CID 25241724
3-methyl-1-nonadecylpyridin-1-ium
CID 69388390
CID 162271857
CID 162271857
1-butyl-3-methylpyridin-1-ium;1-butyl-4-methylpyridin-1-ium;diiodide
CID 172850562
bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane
CID 141205317
3-methyl-1-[11-(3-methylpyridin-1-ium-1-yl)undecyl]pyridin-1-ium diiodide
CID 46890477
1-hexyl-3-methylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87860907
1-(3-decylsulfanylpropyl)-3-methylpyridin-1-ium
CID 132574961
butanoate;1-butyl-3-methylpyridin-1-ium
CID 122507043
1-butyl-3-ethylpyridin-1-ium hexafluorophosphate
CID 140627235
1-[2-(2-hexoxyethoxy)ethyl]-3-methylpyridin-1-ium
CID 24781977

Frequently Asked Questions

What is the IUPAC name of CID 86295599?
The IUPAC name of CID 86295599 (CID 86295599) is not available.
What is the SMILES notation for CID 86295599?
The canonical SMILES for CID 86295599 is CCCC[n+]1cccc(C)c1.N#C[P-](F)(F)(C#N)(C#N)C#N.
What is the InChIKey of CID 86295599?
The InChIKey is UDTYOYSNGOLWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.C4F2N4P/c1-3-4-7-11-8-5-6-10(2)9-11;5-11(6,1-7,2-8,3-9)4-10/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1.
What are the key properties of CID 86295599?
CID 86295599 has a molecular weight of 323.29 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86295599 is sourced from PubChem (CID 86295599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).