3-fluoro-N-propoxypropan-1-amine

C6H14FNO — CID 131054232

IUPAC3-fluoro-N-propoxypropan-1-amine
SMILESCCCONCCCF
InChIInChI=1S/C6H14FNO/c1-2-6-9-8-5-3-4-7/h8H,2-6H2,1H3
InChIKeyLHZAIIQQZNPDRV-UHFFFAOYSA-N
MW135.18 g/mol
LogP1.28
Rot. Bonds6

About 3-fluoro-N-propoxypropan-1-amine

3-fluoro-N-propoxypropan-1-amine (PubChem CID 131054232) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-fluoro-N-propoxypropan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-propoxypropan-1-amine
PubChem CID131054232
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-fluoro-N-propoxypropan-1-amine
SMILESCCCONCCCF
InChIInChI=1S/C6H14FNO/c1-2-6-9-8-5-3-4-7/h8H,2-6H2,1H3
InChIKeyLHZAIIQQZNPDRV-UHFFFAOYSA-N
XLogP1.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propoxypropan-1-amine?
The IUPAC name of 3-fluoro-N-propoxypropan-1-amine (CID 131054232) is 3-fluoro-N-propoxypropan-1-amine.
What is the SMILES notation for 3-fluoro-N-propoxypropan-1-amine?
The canonical SMILES for 3-fluoro-N-propoxypropan-1-amine is CCCONCCCF.
What is the InChIKey of 3-fluoro-N-propoxypropan-1-amine?
The InChIKey is LHZAIIQQZNPDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-2-6-9-8-5-3-4-7/h8H,2-6H2,1H3.
What are the key properties of 3-fluoro-N-propoxypropan-1-amine?
3-fluoro-N-propoxypropan-1-amine has a molecular weight of 135.18 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propoxypropan-1-amine is sourced from PubChem (CID 131054232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).