[4-(3-fluoropropylamino)oxan-4-yl]methanol

C9H18FNO2 — CID 103784353

IUPAC[4-(3-fluoropropylamino)oxan-4-yl]methanol
SMILESOCC1(NCCCF)CCOCC1
InChIInChI=1S/C9H18FNO2/c10-4-1-5-11-9(8-12)2-6-13-7-3-9/h11-12H,1-8H2
InChIKeyOWCLNTXYNBHRQN-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.48
Rot. Bonds5

About [4-(3-fluoropropylamino)oxan-4-yl]methanol

[4-(3-fluoropropylamino)oxan-4-yl]methanol (PubChem CID 103784353) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is [4-(3-fluoropropylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-fluoropropylamino)oxan-4-yl]methanol
PubChem CID103784353
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name[4-(3-fluoropropylamino)oxan-4-yl]methanol
SMILESOCC1(NCCCF)CCOCC1
InChIInChI=1S/C9H18FNO2/c10-4-1-5-11-9(8-12)2-6-13-7-3-9/h11-12H,1-8H2
InChIKeyOWCLNTXYNBHRQN-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)oxan-4-yl]methanol?
The IUPAC name of [4-(3-fluoropropylamino)oxan-4-yl]methanol (CID 103784353) is [4-(3-fluoropropylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(3-fluoropropylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(3-fluoropropylamino)oxan-4-yl]methanol is OCC1(NCCCF)CCOCC1.
What is the InChIKey of [4-(3-fluoropropylamino)oxan-4-yl]methanol?
The InChIKey is OWCLNTXYNBHRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c10-4-1-5-11-9(8-12)2-6-13-7-3-9/h11-12H,1-8H2.
What are the key properties of [4-(3-fluoropropylamino)oxan-4-yl]methanol?
[4-(3-fluoropropylamino)oxan-4-yl]methanol 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)oxan-4-yl]methanol is sourced from PubChem (CID 103784353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).