(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate

C12H14FNO2 — CID 94259086

IUPAC(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)8-16-12(15)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1
InChIKeyOUIWEHUVELZDIM-NSHDSACASA-N
MW223.25 g/mol
LogP1.62
Rot. Bonds3

About (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate

(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate (PubChem CID 94259086) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate
PubChem CID94259086
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)[C@@H]1CCCN1
InChIInChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)8-16-12(15)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1
InChIKeyOUIWEHUVELZDIM-NSHDSACASA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
(3,4,5-trifluorophenyl)methyl azetidine-2-carboxylate
CID 162771701
(3,4,5-trimethoxyphenyl)methyl pyrrolidine-2-carboxylate
CID 140666594
aminomethyl piperidine-2-carboxylate
CID 152636457
thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
CID 78923175
(2-methylphenyl)methyl pyrrolidine-2-carboxylate
CID 82114190
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
CID 79034994
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
benzyl piperidine-2-carboxylate;4-methylbenzenesulfonic acid
CID 88501986
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate (CID 94259086) is (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate is O=C(OCc1ccc(F)cc1)[C@@H]1CCCN1.
What is the InChIKey of (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate?
The InChIKey is OUIWEHUVELZDIM-NSHDSACASA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)8-16-12(15)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1.
What are the key properties of (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate?
(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 94259086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).