3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine

C10H20FNO — CID 160912446

IUPAC3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CCC(C)(F)C1
InChIInChI=1S/C10H20FNO/c1-9(2)13-7-6-12-5-4-10(3,11)8-12/h9H,4-8H2,1-3H3
InChIKeyABXXXJVZDSLWBN-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.85
Rot. Bonds4

About 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine

3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 160912446) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine
PubChem CID160912446
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CCC(C)(F)C1
InChIInChI=1S/C10H20FNO/c1-9(2)13-7-6-12-5-4-10(3,11)8-12/h9H,4-8H2,1-3H3
InChIKeyABXXXJVZDSLWBN-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine (CID 160912446) is 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine is CC(C)OCCN1CCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is ABXXXJVZDSLWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2)13-7-6-12-5-4-10(3,11)8-12/h9H,4-8H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine?
3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 160912446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).