3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol

C9H18FNO2 — CID 106100931

IUPAC3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCCCF
InChIInChI=1S/C9H18FNO2/c1-8-9(12,3-6-13-8)7-11-5-2-4-10/h8,11-12H,2-7H2,1H3
InChIKeyGXFVNTHTASDKNW-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.48
Rot. Bonds5

About 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol

3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 106100931) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol
PubChem CID106100931
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCCCF
InChIInChI=1S/C9H18FNO2/c1-8-9(12,3-6-13-8)7-11-5-2-4-10/h8,11-12H,2-7H2,1H3
InChIKeyGXFVNTHTASDKNW-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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Related Compounds

1,1,1-Trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104761007
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]oxolan-3-ol
CID 104925234
3-[(1,1-Difluoropropan-2-ylamino)methyl]oxolan-3-ol
CID 106099939
3-[(1,1-Difluoropropan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 106100146
3-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
CID 106100420
3-[(2-Fluoroethylamino)methyl]oxolan-3-ol
CID 106100438
3-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100444
3-[(3-Fluoropropylamino)methyl]oxolan-3-ol
CID 106100456
3-[(4,4,4-Trifluorobutylamino)methyl]oxolan-3-ol
CID 106100553
3-[(3,3,3-Trifluoropropylamino)methyl]oxolan-3-ol
CID 106100555
3-[(2,2-Difluoroethylamino)methyl]oxolan-3-ol
CID 106100612
3-[[2-(Trifluoromethoxy)ethylamino]methyl]oxolan-3-ol
CID 106100832

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol (CID 106100931) is 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCCCF.
What is the InChIKey of 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is GXFVNTHTASDKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-8-9(12,3-6-13-8)7-11-5-2-4-10/h8,11-12H,2-7H2,1H3.
What are the key properties of 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol?
3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-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 3-[(3-fluoropropylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106100931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).