5-fluoro-2-propyloxan-3-amine

C8H16FNO — CID 91098508

IUPAC5-fluoro-2-propyloxan-3-amine
SMILESCCCC1OCC(F)CC1N
InChIInChI=1S/C8H16FNO/c1-2-3-8-7(10)4-6(9)5-11-8/h6-8H,2-5,10H2,1H3
InChIKeyONNLXSRMVMWWHZ-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.24
Rot. Bonds2

About 5-fluoro-2-propyloxan-3-amine

5-fluoro-2-propyloxan-3-amine (PubChem CID 91098508) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 5-fluoro-2-propyloxan-3-amine.

Molecular Properties

Compound Name5-fluoro-2-propyloxan-3-amine
PubChem CID91098508
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name5-fluoro-2-propyloxan-3-amine
SMILESCCCC1OCC(F)CC1N
InChIInChI=1S/C8H16FNO/c1-2-3-8-7(10)4-6(9)5-11-8/h6-8H,2-5,10H2,1H3
InChIKeyONNLXSRMVMWWHZ-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propyloxan-3-amine?
The IUPAC name of 5-fluoro-2-propyloxan-3-amine (CID 91098508) is 5-fluoro-2-propyloxan-3-amine.
What is the SMILES notation for 5-fluoro-2-propyloxan-3-amine?
The canonical SMILES for 5-fluoro-2-propyloxan-3-amine is CCCC1OCC(F)CC1N.
What is the InChIKey of 5-fluoro-2-propyloxan-3-amine?
The InChIKey is ONNLXSRMVMWWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-3-8-7(10)4-6(9)5-11-8/h6-8H,2-5,10H2,1H3.
What are the key properties of 5-fluoro-2-propyloxan-3-amine?
5-fluoro-2-propyloxan-3-amine has a molecular weight of 161.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propyloxan-3-amine is sourced from PubChem (CID 91098508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).