(3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone

C14H16Cl2FNO — CID 58017268

IUPAC(3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone
SMILESCCCC1(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](F)CN1
InChIInChI=1S/C14H16Cl2FNO/c1-2-5-14(7-10(17)8-18-14)13(19)9-3-4-11(15)12(16)6-9/h3-4,6,10,18H,2,5,7-8H2,1H3/t10-,14?/m1/s1
InChIKeyASTQCAFHEFNUII-IAPIXIRKSA-N
MW304.19 g/mol
LogP4.05
Rot. Bonds4

About (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone

(3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone (PubChem CID 58017268) has the molecular formula C14H16Cl2FNO and a molecular weight of 304.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone
PubChem CID58017268
Molecular FormulaC14H16Cl2FNO
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name(3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone
SMILESCCCC1(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](F)CN1
InChIInChI=1S/C14H16Cl2FNO/c1-2-5-14(7-10(17)8-18-14)13(19)9-3-4-11(15)12(16)6-9/h3-4,6,10,18H,2,5,7-8H2,1H3/t10-,14?/m1/s1
InChIKeyASTQCAFHEFNUII-IAPIXIRKSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone
CID 66687178
(3,4-dichlorophenyl)-[(5S)-3-propyl-8-azabicyclo[3.2.1]octan-3-yl]methanone
CID 71095335
(3,4-dichlorophenyl)-[(1R,2S,5R)-2-propyl-8-azabicyclo[3.2.1]octan-2-yl]methanone
CID 66687512
(2R,4R)-2-(3,4-dichlorobenzoyl)-4-hydroxy-2-propylpyrrolidine-1-carboxylic acid
CID 154133017
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
(3,4-dichlorophenyl)-[2-(3,3-difluoroprop-2-enyl)pyrrolidin-2-yl]methanone
CID 59744818
[(1R,2S,5S)-2-butyl-8-azabicyclo[3.2.1]octan-2-yl]-(3,4-dichlorophenyl)methanone
CID 59744917
1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 24724011
(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
CID 56932357
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649750

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone (CID 58017268) is (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone is CCCC1(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](F)CN1.
What is the InChIKey of (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone?
The InChIKey is ASTQCAFHEFNUII-IAPIXIRKSA-N. The full InChI is InChI=1S/C14H16Cl2FNO/c1-2-5-14(7-10(17)8-18-14)13(19)9-3-4-11(15)12(16)6-9/h3-4,6,10,18H,2,5,7-8H2,1H3/t10-,14?/m1/s1.
What are the key properties of (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone?
(3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone has a molecular weight of 304.19 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[(4R)-4-fluoro-2-propylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 58017268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).