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

C9H18FNO — CID 58140054

IUPAC3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CCC(F)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-6-5-11-4-3-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyRPMRHQFQLUXCSZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds4

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

3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine (PubChem CID 58140054) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
PubChem CID58140054
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OCCN1CCC(F)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-6-5-11-4-3-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyRPMRHQFQLUXCSZ-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-1-(2-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of 3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine (CID 58140054) is 3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine is CC(C)OCCN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is RPMRHQFQLUXCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)12-6-5-11-4-3-9(10)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine?
3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 58140054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).