4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine

C9H17FN2O — CID 164657931

IUPAC4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCC(F)C1
InChIInChI=1S/C9H17FN2O/c10-8-1-2-12(4-8)3-7-5-13-6-9(7)11/h7-9H,1-6,11H2
InChIKeyJZGUYTHROHWTHZ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.00
Rot. Bonds2

About 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine

4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine (PubChem CID 164657931) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine
PubChem CID164657931
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCC(F)C1
InChIInChI=1S/C9H17FN2O/c10-8-1-2-12(4-8)3-7-5-13-6-9(7)11/h7-9H,1-6,11H2
InChIKeyJZGUYTHROHWTHZ-UHFFFAOYSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine (CID 164657931) is 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine is NC1COCC1CN1CCC(F)C1.
What is the InChIKey of 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine?
The InChIKey is JZGUYTHROHWTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c10-8-1-2-12(4-8)3-7-5-13-6-9(7)11/h7-9H,1-6,11H2.
What are the key properties of 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine?
4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine has a molecular weight of 188.25 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropyrrolidin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 164657931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).