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

C9H18FNO — CID 81105560

IUPAC3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCC(NCCCF)C1CCCO1
InChIInChI=1S/C9H18FNO/c1-8(11-6-3-5-10)9-4-2-7-12-9/h8-9,11H,2-7H2,1H3
InChIKeyNSAKOMDJLNVDAK-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds5

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

3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 81105560) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID81105560
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCC(NCCCF)C1CCCO1
InChIInChI=1S/C9H18FNO/c1-8(11-6-3-5-10)9-4-2-7-12-9/h8-9,11H,2-7H2,1H3
InChIKeyNSAKOMDJLNVDAK-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine (CID 81105560) is 3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine is CC(NCCCF)C1CCCO1.
What is the InChIKey of 3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is NSAKOMDJLNVDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(11-6-3-5-10)9-4-2-7-12-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine?
3-fluoro-N-[1-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 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-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81105560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).