3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine

C9H18FNO — CID 147525501

IUPAC3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
SMILESCOCC1(F)CCN(C(C)C)C1
InChIInChI=1S/C9H18FNO/c1-8(2)11-5-4-9(10,6-11)7-12-3/h8H,4-7H2,1-3H3
InChIKeyFLZZOKVSWZXABU-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds3

About 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine

3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine (PubChem CID 147525501) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
PubChem CID147525501
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
SMILESCOCC1(F)CCN(C(C)C)C1
InChIInChI=1S/C9H18FNO/c1-8(2)11-5-4-9(10,6-11)7-12-3/h8H,4-7H2,1-3H3
InChIKeyFLZZOKVSWZXABU-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine (CID 147525501) is 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine is COCC1(F)CCN(C(C)C)C1.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is FLZZOKVSWZXABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)11-5-4-9(10,6-11)7-12-3/h8H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine?
3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 147525501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).