2,2,3,3,3-pentafluoropropylazanium chloride

C3H5ClF5N — CID 2776014

IUPAC2,2,3,3,3-pentafluoropropylazanium chloride
SMILES[Cl-].[NH3+]CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5N.ClH/c4-2(5,1-9)3(6,7)8;/h1,9H2;1H
InChIKeyMBDLWFISOWMXMI-UHFFFAOYSA-N
MW185.52 g/mol
LogP-2.57
Rot. Bonds1

About 2,2,3,3,3-pentafluoropropylazanium chloride

2,2,3,3,3-pentafluoropropylazanium chloride (PubChem CID 2776014) has the molecular formula C3H5ClF5N and a molecular weight of 185.52 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropylazanium chloride.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropylazanium chloride
PubChem CID2776014
Molecular FormulaC3H5ClF5N
Molecular Weight185.52 g/mol
Exact Mass185.00
IUPAC Name2,2,3,3,3-pentafluoropropylazanium chloride
SMILES[Cl-].[NH3+]CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H4F5N.ClH/c4-2(5,1-9)3(6,7)8;/h1,9H2;1H
InChIKeyMBDLWFISOWMXMI-UHFFFAOYSA-N
XLogP-2.57
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.52
LogP ≤ 5-2.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoroethylamine hydrochloride
CID 9772
Ethanamine, 2,2,2-trifluoro-
CID 9773
3,3,3-Trifluoropropylamine
CID 10001
2,2,3,3,4,4,4-Heptafluorobutylamine
CID 67807
2,2,3,3,3-Pentafluoropropylamine
CID 79002
2,2,3,3,4,4,4-Heptafluorobutan-1-amine--hydrogen chloride (1/1)
CID 53492763
2,2-Difluoroethan-1-amine hydrochloride
CID 18352163
3,3,3-Trifluoropropylamine hydrochloride
CID 25210505
2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propan-1-amine
CID 125424351
2,2,2-Trifluoroethylazanium;chloride
CID 10931477
2,2-Difluoropropylamine hydrochloride
CID 2758355
2,2,3,3-Tetrafluoropropan-1-amine hydrochloride
CID 21298755

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropylazanium chloride?
The IUPAC name of 2,2,3,3,3-pentafluoropropylazanium chloride (CID 2776014) is 2,2,3,3,3-pentafluoropropylazanium chloride.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropylazanium chloride?
The canonical SMILES for 2,2,3,3,3-pentafluoropropylazanium chloride is [Cl-].[NH3+]CC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropylazanium chloride?
The InChIKey is MBDLWFISOWMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5N.ClH/c4-2(5,1-9)3(6,7)8;/h1,9H2;1H.
What are the key properties of 2,2,3,3,3-pentafluoropropylazanium chloride?
2,2,3,3,3-pentafluoropropylazanium chloride has a molecular weight of 185.52 g/mol, XLogP of -2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropylazanium chloride is sourced from PubChem (CID 2776014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).