difluoromethyl(trimethyl)azanium chloride

C4H10ClF2N — CID 13440985

IUPACdifluoromethyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)C(F)F.[Cl-]
InChIInChI=1S/C4H10F2N.ClH/c1-7(2,3)4(5)6;/h4H,1-3H3;1H/q+1;/p-1
InChIKeyOBNVEPMBKSBANJ-UHFFFAOYSA-M
MW145.58 g/mol
LogP-2.08
Rot. Bonds1

About difluoromethyl(trimethyl)azanium chloride

difluoromethyl(trimethyl)azanium chloride (PubChem CID 13440985) has the molecular formula C4H10ClF2N and a molecular weight of 145.58 g/mol. Its IUPAC name is difluoromethyl(trimethyl)azanium chloride.

Molecular Properties

Compound Namedifluoromethyl(trimethyl)azanium chloride
PubChem CID13440985
Molecular FormulaC4H10ClF2N
Molecular Weight145.58 g/mol
Exact Mass145.05
IUPAC Namedifluoromethyl(trimethyl)azanium chloride
SMILESC[N+](C)(C)C(F)F.[Cl-]
InChIInChI=1S/C4H10F2N.ClH/c1-7(2,3)4(5)6;/h4H,1-3H3;1H/q+1;/p-1
InChIKeyOBNVEPMBKSBANJ-UHFFFAOYSA-M
XLogP-2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.58
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

fluoroform;hydroiodide
CID 87214980
1-chloryloxyethyl(trimethyl)azanium chloride
CID 163362184
sodium;tetramethylazanium;dichloride
CID 173400677
1,1-difluoroethane
CID 6368
sodium;tetramethylazanium;chloride
CID 23689798
trimethyl(1-sulfanylethyl)azanium
CID 12234
cyclohexyl-(difluoromethyl)-dimethylazanium iodide
CID 24750838
fluoroform;trimethyl(propyl)azanium
CID 87248213
bromomethane;fluoroform
CID 162541829
N,N-dimethylmethanamine oxide;hydroiodide
CID 119095335
methanol;tetramethylazanium;chloride
CID 18968276
fluoroform;methanol
CID 161033158

Frequently Asked Questions

What is the IUPAC name of difluoromethyl(trimethyl)azanium chloride?
The IUPAC name of difluoromethyl(trimethyl)azanium chloride (CID 13440985) is difluoromethyl(trimethyl)azanium chloride.
What is the SMILES notation for difluoromethyl(trimethyl)azanium chloride?
The canonical SMILES for difluoromethyl(trimethyl)azanium chloride is C[N+](C)(C)C(F)F.[Cl-].
What is the InChIKey of difluoromethyl(trimethyl)azanium chloride?
The InChIKey is OBNVEPMBKSBANJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10F2N.ClH/c1-7(2,3)4(5)6;/h4H,1-3H3;1H/q+1;/p-1.
What are the key properties of difluoromethyl(trimethyl)azanium chloride?
difluoromethyl(trimethyl)azanium chloride has a molecular weight of 145.58 g/mol, XLogP of -2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl(trimethyl)azanium chloride is sourced from PubChem (CID 13440985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).