3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine

C9H17FN2O — CID 164657932

IUPAC3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine
SMILESNC1(CN2CCC(F)C2)CCOC1
InChIInChI=1S/C9H17FN2O/c10-8-1-3-12(5-8)6-9(11)2-4-13-7-9/h8H,1-7,11H2
InChIKeyGDBSACXLGSDPIH-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.15
Rot. Bonds2

About 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine

3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine (PubChem CID 164657932) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine
PubChem CID164657932
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine
SMILESNC1(CN2CCC(F)C2)CCOC1
InChIInChI=1S/C9H17FN2O/c10-8-1-3-12(5-8)6-9(11)2-4-13-7-9/h8H,1-7,11H2
InChIKeyGDBSACXLGSDPIH-UHFFFAOYSA-N
XLogP0.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine (CID 164657932) is 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine is NC1(CN2CCC(F)C2)CCOC1.
What is the InChIKey of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine?
The InChIKey is GDBSACXLGSDPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c10-8-1-3-12(5-8)6-9(11)2-4-13-7-9/h8H,1-7,11H2.
What are the key properties of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine?
3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine has a molecular weight of 188.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 164657932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).