3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine

C9H18FNO — CID 81106325

IUPAC3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
SMILESFCCCNCCC1CCCO1
InChIInChI=1S/C9H18FNO/c10-5-2-6-11-7-4-9-3-1-8-12-9/h9,11H,1-8H2
InChIKeyONYNNOQGPXSATM-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds6

About 3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine

3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 81106325) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID81106325
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
SMILESFCCCNCCC1CCCO1
InChIInChI=1S/C9H18FNO/c10-5-2-6-11-7-4-9-3-1-8-12-9/h9,11H,1-8H2
InChIKeyONYNNOQGPXSATM-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
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-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine (CID 81106325) is 3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine is FCCCNCCC1CCCO1.
What is the InChIKey of 3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is ONYNNOQGPXSATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-5-2-6-11-7-4-9-3-1-8-12-9/h9,11H,1-8H2.
What are the key properties of 3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine?
3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81106325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).