trimethyl(3,3,3-trifluoropropyl)azanium chloride

C6H13ClF3N — CID 22735083

IUPACtrimethyl(3,3,3-trifluoropropyl)azanium chloride
SMILESC[N+](C)(C)CCC(F)(F)F.[Cl-]
InChIInChI=1S/C6H13F3N.ClH/c1-10(2,3)5-4-6(7,8)9;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyYNBIYHGFUVFKIO-UHFFFAOYSA-M
MW191.62 g/mol
LogP-1.35
Rot. Bonds2

About trimethyl(3,3,3-trifluoropropyl)azanium chloride

trimethyl(3,3,3-trifluoropropyl)azanium chloride (PubChem CID 22735083) has the molecular formula C6H13ClF3N and a molecular weight of 191.62 g/mol. Its IUPAC name is trimethyl(3,3,3-trifluoropropyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(3,3,3-trifluoropropyl)azanium chloride
PubChem CID22735083
Molecular FormulaC6H13ClF3N
Molecular Weight191.62 g/mol
Exact Mass191.07
IUPAC Nametrimethyl(3,3,3-trifluoropropyl)azanium chloride
SMILESC[N+](C)(C)CCC(F)(F)F.[Cl-]
InChIInChI=1S/C6H13F3N.ClH/c1-10(2,3)5-4-6(7,8)9;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKeyYNBIYHGFUVFKIO-UHFFFAOYSA-M
XLogP-1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-1.35
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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Frequently Asked Questions

What is the IUPAC name of trimethyl(3,3,3-trifluoropropyl)azanium chloride?
The IUPAC name of trimethyl(3,3,3-trifluoropropyl)azanium chloride (CID 22735083) is trimethyl(3,3,3-trifluoropropyl)azanium chloride.
What is the SMILES notation for trimethyl(3,3,3-trifluoropropyl)azanium chloride?
The canonical SMILES for trimethyl(3,3,3-trifluoropropyl)azanium chloride is C[N+](C)(C)CCC(F)(F)F.[Cl-].
What is the InChIKey of trimethyl(3,3,3-trifluoropropyl)azanium chloride?
The InChIKey is YNBIYHGFUVFKIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13F3N.ClH/c1-10(2,3)5-4-6(7,8)9;/h4-5H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(3,3,3-trifluoropropyl)azanium chloride?
trimethyl(3,3,3-trifluoropropyl)azanium chloride has a molecular weight of 191.62 g/mol, XLogP of -1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3,3,3-trifluoropropyl)azanium chloride is sourced from PubChem (CID 22735083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).