fluoroform;trimethyl(propyl)azanium

C7H17F3N+ — CID 87248213

IUPACfluoroform;trimethyl(propyl)azanium
SMILESCCC[N+](C)(C)C.FC(F)F
InChIInChI=1S/C6H16N.CHF3/c1-5-6-7(2,3)4;2-1(3)4/h5-6H2,1-4H3;1H/q+1;
InChIKeyASDWFUDNFAXKAI-UHFFFAOYSA-N
MW172.21 g/mol
LogP2.28
Rot. Bonds2

About fluoroform;trimethyl(propyl)azanium

fluoroform;trimethyl(propyl)azanium (PubChem CID 87248213) has the molecular formula C7H17F3N+ and a molecular weight of 172.21 g/mol. Its IUPAC name is fluoroform;trimethyl(propyl)azanium.

Molecular Properties

Compound Namefluoroform;trimethyl(propyl)azanium
PubChem CID87248213
Molecular FormulaC7H17F3N+
Molecular Weight172.21 g/mol
Exact Mass172.13
IUPAC Namefluoroform;trimethyl(propyl)azanium
SMILESCCC[N+](C)(C)C.FC(F)F
InChIInChI=1S/C6H16N.CHF3/c1-5-6-7(2,3)4;2-1(3)4/h5-6H2,1-4H3;1H/q+1;
InChIKeyASDWFUDNFAXKAI-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

fluoroform;hexyl(trimethyl)azanium
CID 160600313
CID 90333752
CID 90333752
O-ethylhydroxylamine;trimethyl(propyl)azanium
CID 162168540
trifluoromethanesulfonamide;trimethyl(propyl)azanium
CID 87657306
hexadecylazanide;bis(trimethyl(propyl)azanium);bromide
CID 156777196
N-methyl-N-phosphonatomethanamine;bis(trimethyl(propyl)azanium)
CID 178182657
2-hydroxypropane-1,2,3-tricarboxylate;tris(trimethyl(propyl)azanium)
CID 178080828
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
CID 71381310
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentyl)azanium iodide
CID 29431
butyl(trimethyl)azanium;methanol
CID 159541051
trimethyl(pentatriacontyl)azanium
CID 118223294

Frequently Asked Questions

What is the IUPAC name of fluoroform;trimethyl(propyl)azanium?
The IUPAC name of fluoroform;trimethyl(propyl)azanium (CID 87248213) is fluoroform;trimethyl(propyl)azanium.
What is the SMILES notation for fluoroform;trimethyl(propyl)azanium?
The canonical SMILES for fluoroform;trimethyl(propyl)azanium is CCC[N+](C)(C)C.FC(F)F.
What is the InChIKey of fluoroform;trimethyl(propyl)azanium?
The InChIKey is ASDWFUDNFAXKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N.CHF3/c1-5-6-7(2,3)4;2-1(3)4/h5-6H2,1-4H3;1H/q+1;.
What are the key properties of fluoroform;trimethyl(propyl)azanium?
fluoroform;trimethyl(propyl)azanium has a molecular weight of 172.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;trimethyl(propyl)azanium is sourced from PubChem (CID 87248213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).