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

C10H20FNO — CID 20742857

IUPAC3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
SMILESCC(C)OCCCN1CCC(F)C1
InChIInChI=1S/C10H20FNO/c1-9(2)13-7-3-5-12-6-4-10(11)8-12/h9-10H,3-8H2,1-2H3
InChIKeyDQDMFVPHODNTIZ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.85
Rot. Bonds5

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

3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine (PubChem CID 20742857) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
PubChem CID20742857
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
SMILESCC(C)OCCCN1CCC(F)C1
InChIInChI=1S/C10H20FNO/c1-9(2)13-7-3-5-12-6-4-10(11)8-12/h9-10H,3-8H2,1-2H3
InChIKeyDQDMFVPHODNTIZ-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine?
The IUPAC name of 3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine (CID 20742857) is 3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine is CC(C)OCCCN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine?
The InChIKey is DQDMFVPHODNTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2)13-7-3-5-12-6-4-10(11)8-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine?
3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine is sourced from PubChem (CID 20742857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).