4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine

C10H19F3N2O — CID 115520370

IUPAC4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine
SMILESNC1COCC1CNCCCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)3-1-2-4-15-5-8-6-16-7-9(8)14/h8-9,15H,1-7,14H2
InChIKeyJOBSBGABLKQESG-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.28
Rot. Bonds6

About 4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine

4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine (PubChem CID 115520370) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine
PubChem CID115520370
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine
SMILESNC1COCC1CNCCCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)3-1-2-4-15-5-8-6-16-7-9(8)14/h8-9,15H,1-7,14H2
InChIKeyJOBSBGABLKQESG-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.28
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-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine?
The IUPAC name of 4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine (CID 115520370) is 4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine is NC1COCC1CNCCCCC(F)(F)F.
What is the InChIKey of 4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine?
The InChIKey is JOBSBGABLKQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)3-1-2-4-15-5-8-6-16-7-9(8)14/h8-9,15H,1-7,14H2.
What are the key properties of 4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine?
4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 115520370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).