[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

C17H18FNO3 — CID 78840753

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC2c2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO3/c1-21-11-14-8-9-16(22-14)17(20)19-10-2-3-15(19)12-4-6-13(18)7-5-12/h4-9,15H,2-3,10-11H2,1H3
InChIKeySWHWFFYOMURDPM-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.54
Rot. Bonds4

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 78840753) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID78840753
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCCC2c2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO3/c1-21-11-14-8-9-16(22-14)17(20)19-10-2-3-15(19)12-4-6-13(18)7-5-12/h4-9,15H,2-3,10-11H2,1H3
InChIKeySWHWFFYOMURDPM-UHFFFAOYSA-N
XLogP3.54
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95893997
[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 56896820
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95564079
N-[(4-fluorophenyl)methyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 78902093
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124700763
[2-(aminomethyl)pyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 122148050
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 24817677
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345500
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
methyl 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56884158

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 78840753) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2CCCC2c2ccc(F)cc2)o1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is SWHWFFYOMURDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-21-11-14-8-9-16(22-14)17(20)19-10-2-3-15(19)12-4-6-13(18)7-5-12/h4-9,15H,2-3,10-11H2,1H3.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 303.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 78840753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).