3-(3-fluoropropoxy)propan-1-amine

C6H14FNO — CID 58684358

IUPAC3-(3-fluoropropoxy)propan-1-amine
SMILESNCCCOCCCF
InChIInChI=1S/C6H14FNO/c7-3-1-5-9-6-2-4-8/h1-6,8H2
InChIKeyIPFFKZRTXXRTDF-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.71
Rot. Bonds6

About 3-(3-fluoropropoxy)propan-1-amine

3-(3-fluoropropoxy)propan-1-amine (PubChem CID 58684358) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluoropropoxy)propan-1-amine
PubChem CID58684358
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-(3-fluoropropoxy)propan-1-amine
SMILESNCCCOCCCF
InChIInChI=1S/C6H14FNO/c7-3-1-5-9-6-2-4-8/h1-6,8H2
InChIKeyIPFFKZRTXXRTDF-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropoxy)propan-1-amine?
The IUPAC name of 3-(3-fluoropropoxy)propan-1-amine (CID 58684358) is 3-(3-fluoropropoxy)propan-1-amine.
What is the SMILES notation for 3-(3-fluoropropoxy)propan-1-amine?
The canonical SMILES for 3-(3-fluoropropoxy)propan-1-amine is NCCCOCCCF.
What is the InChIKey of 3-(3-fluoropropoxy)propan-1-amine?
The InChIKey is IPFFKZRTXXRTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c7-3-1-5-9-6-2-4-8/h1-6,8H2.
What are the key properties of 3-(3-fluoropropoxy)propan-1-amine?
3-(3-fluoropropoxy)propan-1-amine has a molecular weight of 135.18 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)propan-1-amine is sourced from PubChem (CID 58684358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).