methyl 3-fluoropyrrolidine-1-carboxylate

C6H10FNO2 — CID 90356131

IUPACmethyl 3-fluoropyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(F)C1
InChIInChI=1S/C6H10FNO2/c1-10-6(9)8-3-2-5(7)4-8/h5H,2-4H2,1H3
InChIKeyDHHWZLVHYDARAI-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.80
Rot. Bonds

About methyl 3-fluoropyrrolidine-1-carboxylate

methyl 3-fluoropyrrolidine-1-carboxylate (PubChem CID 90356131) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is methyl 3-fluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoropyrrolidine-1-carboxylate
PubChem CID90356131
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Namemethyl 3-fluoropyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(F)C1
InChIInChI=1S/C6H10FNO2/c1-10-6(9)8-3-2-5(7)4-8/h5H,2-4H2,1H3
InChIKeyDHHWZLVHYDARAI-UHFFFAOYSA-N
XLogP0.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoropyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-fluoropyrrolidine-1-carboxylate (CID 90356131) is methyl 3-fluoropyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-fluoropyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-fluoropyrrolidine-1-carboxylate is COC(=O)N1CCC(F)C1.
What is the InChIKey of methyl 3-fluoropyrrolidine-1-carboxylate?
The InChIKey is DHHWZLVHYDARAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-10-6(9)8-3-2-5(7)4-8/h5H,2-4H2,1H3.
What are the key properties of methyl 3-fluoropyrrolidine-1-carboxylate?
methyl 3-fluoropyrrolidine-1-carboxylate has a molecular weight of 147.15 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 90356131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).