(4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone

C17H16FNO — CID 3709390

IUPAC(4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H16FNO/c18-16-8-6-14(7-9-16)17(20)19-11-10-15(12-19)13-4-2-1-3-5-13/h1-9,15H,10-12H2
InChIKeyPSROFMGWQCADKS-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.46
Rot. Bonds2

About (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone

(4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 3709390) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID3709390
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H16FNO/c18-16-8-6-14(7-9-16)17(20)19-11-10-15(12-19)13-4-2-1-3-5-13/h1-9,15H,10-12H2
InChIKeyPSROFMGWQCADKS-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone (CID 3709390) is (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone is O=C(c1ccc(F)cc1)N1CCC(c2ccccc2)C1.
What is the InChIKey of (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is PSROFMGWQCADKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-16-8-6-14(7-9-16)17(20)19-11-10-15(12-19)13-4-2-1-3-5-13/h1-9,15H,10-12H2.
What are the key properties of (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
(4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 269.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 3709390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).