1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone

C14H18FNO — CID 106883000

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone
SMILESCc1cc(C)c(C(=O)CC2CCCN2)c(F)c1
InChIInChI=1S/C14H18FNO/c1-9-6-10(2)14(12(15)7-9)13(17)8-11-4-3-5-16-11/h6-7,11,16H,3-5,8H2,1-2H3
InChIKeyGWTNGZVHGKCCAU-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.77
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone

1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone (PubChem CID 106883000) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone
PubChem CID106883000
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone
SMILESCc1cc(C)c(C(=O)CC2CCCN2)c(F)c1
InChIInChI=1S/C14H18FNO/c1-9-6-10(2)14(12(15)7-9)13(17)8-11-4-3-5-16-11/h6-7,11,16H,3-5,8H2,1-2H3
InChIKeyGWTNGZVHGKCCAU-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106883102
2-(6-methylpiperidin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116685161
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619
1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 116917007
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560896
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116920016
2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 79560822
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
2-[2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)propyl]piperidine
CID 106882953

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone (CID 106883000) is 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone is Cc1cc(C)c(C(=O)CC2CCCN2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone?
The InChIKey is GWTNGZVHGKCCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-6-10(2)14(12(15)7-9)13(17)8-11-4-3-5-16-11/h6-7,11,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone?
1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone has a molecular weight of 235.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 106883000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).