methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate

C14H18FNO3 — CID 166137065

IUPACmethyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(COCc2ccccc2)C[C@@H](F)CN1
InChIInChI=1S/C14H18FNO3/c1-18-13(17)14(7-12(15)8-16-14)10-19-9-11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3/t12-,14?/m1/s1
InChIKeyXDHKCQCFUSCJBT-PUODRLBUSA-N
MW267.30 g/mol
LogP1.45
Rot. Bonds5

About methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate

methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate (PubChem CID 166137065) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
PubChem CID166137065
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(COCc2ccccc2)C[C@@H](F)CN1
InChIInChI=1S/C14H18FNO3/c1-18-13(17)14(7-12(15)8-16-14)10-19-9-11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3/t12-,14?/m1/s1
InChIKeyXDHKCQCFUSCJBT-PUODRLBUSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate (CID 166137065) is methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate is COC(=O)C1(COCc2ccccc2)C[C@@H](F)CN1.
What is the InChIKey of methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is XDHKCQCFUSCJBT-PUODRLBUSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-13(17)14(7-12(15)8-16-14)10-19-9-11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3/t12-,14?/m1/s1.
What are the key properties of methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate?
methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-fluoro-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 166137065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).