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

C19H22FNO3 — CID 71920064

IUPAC3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1CCCC1CC(O)c1ccco1
InChIInChI=1S/C19H22FNO3/c20-15-8-5-14(6-9-15)7-10-19(23)21-11-1-3-16(21)13-17(22)18-4-2-12-24-18/h2,4-6,8-9,12,16-17,22H,1,3,7,10-11,13H2
InChIKeyMFPSZLQCKFZXGI-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.47
Rot. Bonds6

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

3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 71920064) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one
PubChem CID71920064
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1CCCC1CC(O)c1ccco1
InChIInChI=1S/C19H22FNO3/c20-15-8-5-14(6-9-15)7-10-19(23)21-11-1-3-16(21)13-17(22)18-4-2-12-24-18/h2,4-6,8-9,12,16-17,22H,1,3,7,10-11,13H2
InChIKeyMFPSZLQCKFZXGI-UHFFFAOYSA-N
XLogP3.47
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one (CID 71920064) is 3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one is O=C(CCc1ccc(F)cc1)N1CCCC1CC(O)c1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is MFPSZLQCKFZXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c20-15-8-5-14(6-9-15)7-10-19(23)21-11-1-3-16(21)13-17(22)18-4-2-12-24-18/h2,4-6,8-9,12,16-17,22H,1,3,7,10-11,13H2.
What are the key properties of 3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 331.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 71920064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).