4-[(3-fluoropropylamino)methyl]oxan-4-ol

C9H18FNO2 — CID 81131145

IUPAC4-[(3-fluoropropylamino)methyl]oxan-4-ol
SMILESOC1(CNCCCF)CCOCC1
InChIInChI=1S/C9H18FNO2/c10-4-1-5-11-8-9(12)2-6-13-7-3-9/h11-12H,1-8H2
InChIKeyLBJNKEAXTMVDRK-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.48
Rot. Bonds5

About 4-[(3-fluoropropylamino)methyl]oxan-4-ol

4-[(3-fluoropropylamino)methyl]oxan-4-ol (PubChem CID 81131145) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-[(3-fluoropropylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(3-fluoropropylamino)methyl]oxan-4-ol
PubChem CID81131145
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name4-[(3-fluoropropylamino)methyl]oxan-4-ol
SMILESOC1(CNCCCF)CCOCC1
InChIInChI=1S/C9H18FNO2/c10-4-1-5-11-8-9(12)2-6-13-7-3-9/h11-12H,1-8H2
InChIKeyLBJNKEAXTMVDRK-UHFFFAOYSA-N
XLogP0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[(3-fluoropropylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(3-fluoropropylamino)methyl]oxan-4-ol (CID 81131145) is 4-[(3-fluoropropylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(3-fluoropropylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(3-fluoropropylamino)methyl]oxan-4-ol is OC1(CNCCCF)CCOCC1.
What is the InChIKey of 4-[(3-fluoropropylamino)methyl]oxan-4-ol?
The InChIKey is LBJNKEAXTMVDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c10-4-1-5-11-8-9(12)2-6-13-7-3-9/h11-12H,1-8H2.
What are the key properties of 4-[(3-fluoropropylamino)methyl]oxan-4-ol?
4-[(3-fluoropropylamino)methyl]oxan-4-ol has a molecular weight of 191.25 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropropylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81131145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).