3-fluoro-4-propan-2-yloxypyrrolidine

C7H14FNO — CID 59176328

IUPAC3-fluoro-4-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CNCC1F
InChIInChI=1S/C7H14FNO/c1-5(2)10-7-4-9-3-6(7)8/h5-7,9H,3-4H2,1-2H3
InChIKeyQSOPAZFKUKGTTD-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds2

About 3-fluoro-4-propan-2-yloxypyrrolidine

3-fluoro-4-propan-2-yloxypyrrolidine (PubChem CID 59176328) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name3-fluoro-4-propan-2-yloxypyrrolidine
PubChem CID59176328
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-fluoro-4-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CNCC1F
InChIInChI=1S/C7H14FNO/c1-5(2)10-7-4-9-3-6(7)8/h5-7,9H,3-4H2,1-2H3
InChIKeyQSOPAZFKUKGTTD-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-yloxypyrrolidine?
The IUPAC name of 3-fluoro-4-propan-2-yloxypyrrolidine (CID 59176328) is 3-fluoro-4-propan-2-yloxypyrrolidine.
What is the SMILES notation for 3-fluoro-4-propan-2-yloxypyrrolidine?
The canonical SMILES for 3-fluoro-4-propan-2-yloxypyrrolidine is CC(C)OC1CNCC1F.
What is the InChIKey of 3-fluoro-4-propan-2-yloxypyrrolidine?
The InChIKey is QSOPAZFKUKGTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5(2)10-7-4-9-3-6(7)8/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-4-propan-2-yloxypyrrolidine?
3-fluoro-4-propan-2-yloxypyrrolidine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-yloxypyrrolidine is sourced from PubChem (CID 59176328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).