3,3,3-trifluoropropylazanium chloride

C3H7ClF3N — CID 2777981

IUPAC3,3,3-trifluoropropylazanium chloride
SMILES[Cl-].[NH3+]CCC(F)(F)F
InChIInChI=1S/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
InChIKeyIGOPOYHPIKTQSS-UHFFFAOYSA-N
MW149.54 g/mol
LogP-2.82
Rot. Bonds1

About 3,3,3-trifluoropropylazanium chloride

3,3,3-trifluoropropylazanium chloride (PubChem CID 2777981) has the molecular formula C3H7ClF3N and a molecular weight of 149.54 g/mol. Its IUPAC name is 3,3,3-trifluoropropylazanium chloride.

Molecular Properties

Compound Name3,3,3-trifluoropropylazanium chloride
PubChem CID2777981
Molecular FormulaC3H7ClF3N
Molecular Weight149.54 g/mol
Exact Mass149.02
IUPAC Name3,3,3-trifluoropropylazanium chloride
SMILES[Cl-].[NH3+]CCC(F)(F)F
InChIInChI=1S/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
InChIKeyIGOPOYHPIKTQSS-UHFFFAOYSA-N
XLogP-2.82
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.54
LogP ≤ 5-2.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropylazanium chloride?
The IUPAC name of 3,3,3-trifluoropropylazanium chloride (CID 2777981) is 3,3,3-trifluoropropylazanium chloride.
What is the SMILES notation for 3,3,3-trifluoropropylazanium chloride?
The canonical SMILES for 3,3,3-trifluoropropylazanium chloride is [Cl-].[NH3+]CCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropylazanium chloride?
The InChIKey is IGOPOYHPIKTQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H.
What are the key properties of 3,3,3-trifluoropropylazanium chloride?
3,3,3-trifluoropropylazanium chloride has a molecular weight of 149.54 g/mol, XLogP of -2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropylazanium chloride is sourced from PubChem (CID 2777981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).