[(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone

C12H12FNO2 — CID 174532175

IUPAC[(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone
SMILESO=C=C1CCN(OCc2ccccc2)[C@@H]1F
InChIInChI=1S/C12H12FNO2/c13-12-11(8-15)6-7-14(12)16-9-10-4-2-1-3-5-10/h1-5,12H,6-7,9H2/t12-/m0/s1
InChIKeySKSAHTLSFJCAPH-LBPRGKRZSA-N
MW221.23 g/mol
LogP1.88
Rot. Bonds3

About [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone

[(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone (PubChem CID 174532175) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone.

Molecular Properties

Compound Name[(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone
PubChem CID174532175
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name[(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone
SMILESO=C=C1CCN(OCc2ccccc2)[C@@H]1F
InChIInChI=1S/C12H12FNO2/c13-12-11(8-15)6-7-14(12)16-9-10-4-2-1-3-5-10/h1-5,12H,6-7,9H2/t12-/m0/s1
InChIKeySKSAHTLSFJCAPH-LBPRGKRZSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Fluorobenzyl)oxy]pyrrolidine-2,5-dione
CID 2990101
1-(Benzyloxy)piperidin-4-one
CID 68518940
fluoro-N-benzyloxy-carbonylethylamine
CID 129705165
N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide
CID 134886592
N-ethyl-N-phenylmethoxyethanamine
CID 274251
2-Methyl-5-phenylisoxazolidine
CID 11051981
1-(Benzyloxy)pyrrolidine-2,5-dione
CID 12390717
Benzoxypiperidin
CID 18458358
N-benzyloxy-3-pyrroline
CID 102529031
N-methyl-1-[(3R)-oxolan-3-yl]-N-phenylmethoxymethanamine
CID 97606768
1-[(2-Fluorophenyl)methoxy]piperidine
CID 54189097
1-[Fluoro(phenyl)methoxy]piperidine
CID 57214948

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone?
The IUPAC name of [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone (CID 174532175) is [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone.
What is the SMILES notation for [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone?
The canonical SMILES for [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone is O=C=C1CCN(OCc2ccccc2)[C@@H]1F.
What is the InChIKey of [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone?
The InChIKey is SKSAHTLSFJCAPH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-12-11(8-15)6-7-14(12)16-9-10-4-2-1-3-5-10/h1-5,12H,6-7,9H2/t12-/m0/s1.
What are the key properties of [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone?
[(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone has a molecular weight of 221.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone is sourced from PubChem (CID 174532175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).