2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one

C19H22FNO2 — CID 110619870

IUPAC2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(C(=O)N1CCC(c2ccco2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO2/c1-13(2)18(14-5-7-16(20)8-6-14)19(22)21-10-9-15(12-21)17-4-3-11-23-17/h3-8,11,13,15,18H,9-10,12H2,1-2H3
InChIKeyHHXABJFBNDXMGI-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one

2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one (PubChem CID 110619870) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
PubChem CID110619870
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(C(=O)N1CCC(c2ccco2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO2/c1-13(2)18(14-5-7-16(20)8-6-14)19(22)21-10-9-15(12-21)17-4-3-11-23-17/h3-8,11,13,15,18H,9-10,12H2,1-2H3
InChIKeyHHXABJFBNDXMGI-UHFFFAOYSA-N
XLogP4.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
CID 124851606
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
CID 110421538
2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313552
1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110421523
(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110612224
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110423788
(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
CID 134368012
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110667360
methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110667359

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one (CID 110619870) is 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one is CC(C)C(C(=O)N1CCC(c2ccco2)C1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one?
The InChIKey is HHXABJFBNDXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13(2)18(14-5-7-16(20)8-6-14)19(22)21-10-9-15(12-21)17-4-3-11-23-17/h3-8,11,13,15,18H,9-10,12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one?
2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one has a molecular weight of 315.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110619870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).