[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone

C18H18FNO — CID 110411316

IUPAC[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c19-16-10-8-14(9-11-16)13-17-7-4-12-20(17)18(21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyGUFXACRQSCFYGB-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.67
Rot. Bonds3

About [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone

[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 110411316) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID110411316
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c19-16-10-8-14(9-11-16)13-17-7-4-12-20(17)18(21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyGUFXACRQSCFYGB-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 136578762
3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661811
2-[2-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110601867

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone (CID 110411316) is [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC1Cc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is GUFXACRQSCFYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-16-10-8-14(9-11-16)13-17-7-4-12-20(17)18(21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-13H2.
What are the key properties of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone?
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 283.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110411316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).