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

C12H14FNO2 — CID 103397092

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

About (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone

(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone (PubChem CID 103397092) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
PubChem CID103397092
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
SMILESCOc1ccc(C(=O)C2CCNC2)c(F)c1
InChIInChI=1S/C12H14FNO2/c1-16-9-2-3-10(11(13)6-9)12(15)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyMENQXIJFEGSGCG-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

(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397145
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230012
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
1-(2-fluoro-4-methoxyphenyl)-2-(4-pyrrolidin-3-ylphenyl)ethanone
CID 58315633
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone (CID 103397092) is (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone is COc1ccc(C(=O)C2CCNC2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is MENQXIJFEGSGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-16-9-2-3-10(11(13)6-9)12(15)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone?
(2-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 (2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 103397092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).