3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine

C8H16FNO — CID 81106211

IUPAC3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESFCCCNCC1CCOC1
InChIInChI=1S/C8H16FNO/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-7H2
InChIKeyXRKWWKAVUXXECQ-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.97
Rot. Bonds5

About 3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine

3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine (PubChem CID 81106211) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine
PubChem CID81106211
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESFCCCNCC1CCOC1
InChIInChI=1S/C8H16FNO/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-7H2
InChIKeyXRKWWKAVUXXECQ-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.97
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-(oxolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine (CID 81106211) is 3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine is FCCCNCC1CCOC1.
What is the InChIKey of 3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine?
The InChIKey is XRKWWKAVUXXECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-7H2.
What are the key properties of 3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine?
3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 81106211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).