1-(3-ethoxy-2-fluoropropyl)pyrrolidine

C9H18FNO — CID 170393198

IUPAC1-(3-ethoxy-2-fluoropropyl)pyrrolidine
SMILESCCOCC(F)CN1CCCC1
InChIInChI=1S/C9H18FNO/c1-2-12-8-9(10)7-11-5-3-4-6-11/h9H,2-8H2,1H3
InChIKeyVGNMKYCPXCRORS-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds5

About 1-(3-ethoxy-2-fluoropropyl)pyrrolidine

1-(3-ethoxy-2-fluoropropyl)pyrrolidine (PubChem CID 170393198) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-ethoxy-2-fluoropropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-ethoxy-2-fluoropropyl)pyrrolidine
PubChem CID170393198
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-ethoxy-2-fluoropropyl)pyrrolidine
SMILESCCOCC(F)CN1CCCC1
InChIInChI=1S/C9H18FNO/c1-2-12-8-9(10)7-11-5-3-4-6-11/h9H,2-8H2,1H3
InChIKeyVGNMKYCPXCRORS-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 1-(3-ethoxy-2-fluoropropyl)pyrrolidine?
The IUPAC name of 1-(3-ethoxy-2-fluoropropyl)pyrrolidine (CID 170393198) is 1-(3-ethoxy-2-fluoropropyl)pyrrolidine.
What is the SMILES notation for 1-(3-ethoxy-2-fluoropropyl)pyrrolidine?
The canonical SMILES for 1-(3-ethoxy-2-fluoropropyl)pyrrolidine is CCOCC(F)CN1CCCC1.
What is the InChIKey of 1-(3-ethoxy-2-fluoropropyl)pyrrolidine?
The InChIKey is VGNMKYCPXCRORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-12-8-9(10)7-11-5-3-4-6-11/h9H,2-8H2,1H3.
What are the key properties of 1-(3-ethoxy-2-fluoropropyl)pyrrolidine?
1-(3-ethoxy-2-fluoropropyl)pyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-fluoropropyl)pyrrolidine is sourced from PubChem (CID 170393198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).