fluoro 1-benzylpyrrolidine-3-carboxylate

C12H14FNO2 — CID 143050363

IUPACfluoro 1-benzylpyrrolidine-3-carboxylate
SMILESO=C(OF)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H14FNO2/c13-16-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyVTEAZIVXGJLWNP-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.94
Rot. Bonds3

About fluoro 1-benzylpyrrolidine-3-carboxylate

fluoro 1-benzylpyrrolidine-3-carboxylate (PubChem CID 143050363) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is fluoro 1-benzylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namefluoro 1-benzylpyrrolidine-3-carboxylate
PubChem CID143050363
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namefluoro 1-benzylpyrrolidine-3-carboxylate
SMILESO=C(OF)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H14FNO2/c13-16-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyVTEAZIVXGJLWNP-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730681
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923

Frequently Asked Questions

What is the IUPAC name of fluoro 1-benzylpyrrolidine-3-carboxylate?
The IUPAC name of fluoro 1-benzylpyrrolidine-3-carboxylate (CID 143050363) is fluoro 1-benzylpyrrolidine-3-carboxylate.
What is the SMILES notation for fluoro 1-benzylpyrrolidine-3-carboxylate?
The canonical SMILES for fluoro 1-benzylpyrrolidine-3-carboxylate is O=C(OF)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of fluoro 1-benzylpyrrolidine-3-carboxylate?
The InChIKey is VTEAZIVXGJLWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-16-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of fluoro 1-benzylpyrrolidine-3-carboxylate?
fluoro 1-benzylpyrrolidine-3-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1-benzylpyrrolidine-3-carboxylate is sourced from PubChem (CID 143050363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).