1-fluoropropan-1-amine;hydrochloride

C3H9ClFN — CID 173116737

IUPAC1-fluoropropan-1-amine;hydrochloride
SMILESCCC(N)F.Cl
InChIInChI=1S/C3H8FN.ClH/c1-2-3(4)5;/h3H,2,5H2,1H3;1H
InChIKeyGSTLQWHHRIREGF-UHFFFAOYSA-N
MW113.56 g/mol
LogP1.07
Rot. Bonds1

About 1-fluoropropan-1-amine;hydrochloride

1-fluoropropan-1-amine;hydrochloride (PubChem CID 173116737) has the molecular formula C3H9ClFN and a molecular weight of 113.56 g/mol. Its IUPAC name is 1-fluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-fluoropropan-1-amine;hydrochloride
PubChem CID173116737
Molecular FormulaC3H9ClFN
Molecular Weight113.56 g/mol
Exact Mass113.04
IUPAC Name1-fluoropropan-1-amine;hydrochloride
SMILESCCC(N)F.Cl
InChIInChI=1S/C3H8FN.ClH/c1-2-3(4)5;/h3H,2,5H2,1H3;1H
InChIKeyGSTLQWHHRIREGF-UHFFFAOYSA-N
XLogP1.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.56
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropropan-1-amine;hydrochloride?
The IUPAC name of 1-fluoropropan-1-amine;hydrochloride (CID 173116737) is 1-fluoropropan-1-amine;hydrochloride.
What is the SMILES notation for 1-fluoropropan-1-amine;hydrochloride?
The canonical SMILES for 1-fluoropropan-1-amine;hydrochloride is CCC(N)F.Cl.
What is the InChIKey of 1-fluoropropan-1-amine;hydrochloride?
The InChIKey is GSTLQWHHRIREGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FN.ClH/c1-2-3(4)5;/h3H,2,5H2,1H3;1H.
What are the key properties of 1-fluoropropan-1-amine;hydrochloride?
1-fluoropropan-1-amine;hydrochloride has a molecular weight of 113.56 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 173116737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).