methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate

C9H16FNO2 — CID 81114512

IUPACmethyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CCCF)C1
InChIInChI=1S/C9H16FNO2/c1-13-9(12)8-3-6-11(7-8)5-2-4-10/h8H,2-7H2,1H3
InChIKeyAXFZHBRWJTWMLS-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.84
Rot. Bonds4

About methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate

methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate (PubChem CID 81114512) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate
PubChem CID81114512
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namemethyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(CCCF)C1
InChIInChI=1S/C9H16FNO2/c1-13-9(12)8-3-6-11(7-8)5-2-4-10/h8H,2-7H2,1H3
InChIKeyAXFZHBRWJTWMLS-UHFFFAOYSA-N
XLogP0.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate (CID 81114512) is methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(CCCF)C1.
What is the InChIKey of methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate?
The InChIKey is AXFZHBRWJTWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-13-9(12)8-3-6-11(7-8)5-2-4-10/h8H,2-7H2,1H3.
What are the key properties of methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate?
methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate has a molecular weight of 189.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoropropyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 81114512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).