3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine

C8H16FNO — CID 112564239

IUPAC3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1(F)CCNC1
InChIInChI=1S/C8H16FNO/c1-7(2)11-6-8(9)3-4-10-5-8/h7,10H,3-6H2,1-2H3
InChIKeyGBBRTIVXHMDUGT-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds3

About 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine

3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 112564239) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine
PubChem CID112564239
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1(F)CCNC1
InChIInChI=1S/C8H16FNO/c1-7(2)11-6-8(9)3-4-10-5-8/h7,10H,3-6H2,1-2H3
InChIKeyGBBRTIVXHMDUGT-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine (CID 112564239) is 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1(F)CCNC1.
What is the InChIKey of 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is GBBRTIVXHMDUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2)11-6-8(9)3-4-10-5-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine?
3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 112564239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).