(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone

C12H14FNO2 — CID 116568282

IUPAC(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
SMILESCOc1ccc(C(=O)C2CCNC2)cc1F
InChIInChI=1S/C12H14FNO2/c1-16-11-3-2-8(6-10(11)13)12(15)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyJLRLHOWCPYCXEO-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.63
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone

(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone (PubChem CID 116568282) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
PubChem CID116568282
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
SMILESCOc1ccc(C(=O)C2CCNC2)cc1F
InChIInChI=1S/C12H14FNO2/c1-16-11-3-2-8(6-10(11)13)12(15)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyJLRLHOWCPYCXEO-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572516
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119450584
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105097261
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
1-(3-fluoro-4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79086554
(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
CID 116576254

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone (CID 116568282) is (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone is COc1ccc(C(=O)C2CCNC2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is JLRLHOWCPYCXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-16-11-3-2-8(6-10(11)13)12(15)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone?
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 223.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116568282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).