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

C9H18FNO — CID 115731748

IUPAC3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCC(NCCCF)C1CCOC1
InChIInChI=1S/C9H18FNO/c1-8(11-5-2-4-10)9-3-6-12-7-9/h8-9,11H,2-7H2,1H3
InChIKeyGATBZROTHRXWKW-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.36
Rot. Bonds5

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

3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 115731748) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID115731748
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCC(NCCCF)C1CCOC1
InChIInChI=1S/C9H18FNO/c1-8(11-5-2-4-10)9-3-6-12-7-9/h8-9,11H,2-7H2,1H3
InChIKeyGATBZROTHRXWKW-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.36
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-[1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine (CID 115731748) is 3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine is CC(NCCCF)C1CCOC1.
What is the InChIKey of 3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is GATBZROTHRXWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(11-5-2-4-10)9-3-6-12-7-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115731748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).