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

C17H16FNO — CID 3144498

IUPAC(2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H16FNO/c18-16-9-5-4-8-15(16)17(20)19-11-10-14(12-19)13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKeyOLBJIMXCBFNERQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.46
Rot. Bonds2

About (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone

(2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 3144498) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID3144498
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H16FNO/c18-16-9-5-4-8-15(16)17(20)19-11-10-14(12-19)13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKeyOLBJIMXCBFNERQ-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 (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone (CID 3144498) is (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone is O=C(c1ccccc1F)N1CCC(c2ccccc2)C1.
What is the InChIKey of (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is OLBJIMXCBFNERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-16-9-5-4-8-15(16)17(20)19-11-10-14(12-19)13-6-2-1-3-7-13/h1-9,14H,10-12H2.
What are the key properties of (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone?
(2-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 (2-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 3144498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).