[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone

C14H18FNO — CID 176746595

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CC[C@H](F)C2)cc1
InChIInChI=1S/C14H18FNO/c1-10(2)11-3-5-12(6-4-11)14(17)16-8-7-13(15)9-16/h3-6,10,13H,7-9H2,1-2H3/t13-/m0/s1
InChIKeyNIDMDTIBJURCDH-ZDUSSCGKSA-N
MW235.30 g/mol
LogP2.99
Rot. Bonds2

About [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone

[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 176746595) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID176746595
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CC[C@H](F)C2)cc1
InChIInChI=1S/C14H18FNO/c1-10(2)11-3-5-12(6-4-11)14(17)16-8-7-13(15)9-16/h3-6,10,13H,7-9H2,1-2H3/t13-/m0/s1
InChIKeyNIDMDTIBJURCDH-ZDUSSCGKSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
CID 170122418
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 118770730
[4-(2-aminoethyl)phenyl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 153381353
(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 176746595) is [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CC[C@H](F)C2)cc1.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is NIDMDTIBJURCDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10(2)11-3-5-12(6-4-11)14(17)16-8-7-13(15)9-16/h3-6,10,13H,7-9H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 176746595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).