1-fluoropropan-1-amine

C3H8FN — CID 18761775

IUPAC1-fluoropropan-1-amine
SMILESCCC(N)F
InChIInChI=1S/C3H8FN/c1-2-3(4)5/h3H,2,5H2,1H3
InChIKeyCTQXVXCKVOHUNQ-UHFFFAOYSA-N
MW77.10 g/mol
LogP0.65
Rot. Bonds1

About 1-fluoropropan-1-amine

1-fluoropropan-1-amine (PubChem CID 18761775) has the molecular formula C3H8FN and a molecular weight of 77.10 g/mol. Its IUPAC name is 1-fluoropropan-1-amine.

Molecular Properties

Compound Name1-fluoropropan-1-amine
PubChem CID18761775
Molecular FormulaC3H8FN
Molecular Weight77.10 g/mol
Exact Mass77.06
IUPAC Name1-fluoropropan-1-amine
SMILESCCC(N)F
InChIInChI=1S/C3H8FN/c1-2-3(4)5/h3H,2,5H2,1H3
InChIKeyCTQXVXCKVOHUNQ-UHFFFAOYSA-N
XLogP0.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.10
LogP ≤ 50.65
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?
The IUPAC name of 1-fluoropropan-1-amine (CID 18761775) is 1-fluoropropan-1-amine.
What is the SMILES notation for 1-fluoropropan-1-amine?
The canonical SMILES for 1-fluoropropan-1-amine is CCC(N)F.
What is the InChIKey of 1-fluoropropan-1-amine?
The InChIKey is CTQXVXCKVOHUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FN/c1-2-3(4)5/h3H,2,5H2,1H3.
What are the key properties of 1-fluoropropan-1-amine?
1-fluoropropan-1-amine has a molecular weight of 77.10 g/mol, XLogP of 0.65, 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 is sourced from PubChem (CID 18761775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).