(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone

C14H14FNO2 — CID 114736767

IUPAC(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2cc3cccc(F)c3o2)CCCN1
InChIInChI=1S/C14H14FNO2/c1-14(6-3-7-16-14)13(17)11-8-9-4-2-5-10(15)12(9)18-11/h2,4-5,8,16H,3,6-7H2,1H3
InChIKeyZCRIMRHBYZADAG-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.90
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone

(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 114736767) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID114736767
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2cc3cccc(F)c3o2)CCCN1
InChIInChI=1S/C14H14FNO2/c1-14(6-3-7-16-14)13(17)11-8-9-4-2-5-10(15)12(9)18-11/h2,4-5,8,16H,3,6-7H2,1H3
InChIKeyZCRIMRHBYZADAG-UHFFFAOYSA-N
XLogP2.90
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone
CID 114726210
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
(7-chloro-1-benzofuran-2-yl)-(3-methylpiperidin-3-yl)methanone
CID 114736552
7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 111485827
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114737366
(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
CID 114737342

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone (CID 114736767) is (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)c2cc3cccc(F)c3o2)CCCN1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is ZCRIMRHBYZADAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-14(6-3-7-16-14)13(17)11-8-9-4-2-5-10(15)12(9)18-11/h2,4-5,8,16H,3,6-7H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 247.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 114736767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).