2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

C19H22FNO3 — CID 71858800

IUPAC2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C19H22FNO3/c20-13-7-8-17-12(10-13)11-18(24-17)19(23)21-9-3-5-15(21)14-4-1-2-6-16(14)22/h7-8,10,14-15,18H,1-6,9,11H2
InChIKeySCEBCXILYRNDGW-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.88
Rot. Bonds2

About 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 71858800) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID71858800
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C19H22FNO3/c20-13-7-8-17-12(10-13)11-18(24-17)19(23)21-9-3-5-15(21)14-4-1-2-6-16(14)22/h7-8,10,14-15,18H,1-6,9,11H2
InChIKeySCEBCXILYRNDGW-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2R)-1-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 98775762
[(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 97249412
2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115697992
(5,7-difluoro-2,3-dihydroindol-1-yl)-[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 97013536
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)-1,1-dioxo-1,4-thiazinane-3-carboxylic acid
CID 131963906
[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775041
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]cyclopentan-1-one
CID 81329846
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546344
N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79539437
[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95774511
3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 106741554
2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 103766476

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 71858800) is 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1C(=O)C1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is SCEBCXILYRNDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c20-13-7-8-17-12(10-13)11-18(24-17)19(23)21-9-3-5-15(21)14-4-1-2-6-16(14)22/h7-8,10,14-15,18H,1-6,9,11H2.
What are the key properties of 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 331.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 71858800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).