(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone

C14H18FNO — CID 142034272

IUPAC(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-2-4-13-5-3-10-16(13)14(17)11-6-8-12(15)9-7-11/h6-9,13H,2-5,10H2,1H3
InChIKeyZRALQJIADJOKFO-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.23
Rot. Bonds3

About (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone

(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone (PubChem CID 142034272) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
PubChem CID142034272
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-2-4-13-5-3-10-16(13)14(17)11-6-8-12(15)9-7-11/h6-9,13H,2-5,10H2,1H3
InChIKeyZRALQJIADJOKFO-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387
methyl [(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]methanesulfonate
CID 87870003
[2-(bromomethyl)azepan-1-yl]-(4-fluorophenyl)methanone
CID 116639648
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95312023
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone (CID 142034272) is (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone is CCCC1CCCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone?
The InChIKey is ZRALQJIADJOKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-4-13-5-3-10-16(13)14(17)11-6-8-12(15)9-7-11/h6-9,13H,2-5,10H2,1H3.
What are the key properties of (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone?
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone has a molecular weight of 235.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 142034272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).