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

C9H18FNO — CID 166984378

IUPAC4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
SMILESCOCC1CC(F)CN1C(C)C
InChIInChI=1S/C9H18FNO/c1-7(2)11-5-8(10)4-9(11)6-12-3/h7-9H,4-6H2,1-3H3
InChIKeyHIEFOMJHMADMRU-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.45
Rot. Bonds3

About 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine

4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine (PubChem CID 166984378) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
PubChem CID166984378
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
SMILESCOCC1CC(F)CN1C(C)C
InChIInChI=1S/C9H18FNO/c1-7(2)11-5-8(10)4-9(11)6-12-3/h7-9H,4-6H2,1-3H3
InChIKeyHIEFOMJHMADMRU-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine (CID 166984378) is 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine is COCC1CC(F)CN1C(C)C.
What is the InChIKey of 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is HIEFOMJHMADMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)11-5-8(10)4-9(11)6-12-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine?
4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methoxymethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 166984378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).