3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one

C16H22FNO — CID 112679767

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCC(CN1CCCC1(C)C)C(=O)c1ccccc1F
InChIInChI=1S/C16H22FNO/c1-12(11-18-10-6-9-16(18,2)3)15(19)13-7-4-5-8-14(13)17/h4-5,7-8,12H,6,9-11H2,1-3H3
InChIKeyNNFIVNVIIQVFHR-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.52
Rot. Bonds4

About 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one

3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one (PubChem CID 112679767) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
PubChem CID112679767
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCC(CN1CCCC1(C)C)C(=O)c1ccccc1F
InChIInChI=1S/C16H22FNO/c1-12(11-18-10-6-9-16(18,2)3)15(19)13-7-4-5-8-14(13)17/h4-5,7-8,12H,6,9-11H2,1-3H3
InChIKeyNNFIVNVIIQVFHR-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 63217889
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996598
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 115996621
4-(2-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 60914023
3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996574
2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107521139
3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679711

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one (CID 112679767) is 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one is CC(CN1CCCC1(C)C)C(=O)c1ccccc1F.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is NNFIVNVIIQVFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12(11-18-10-6-9-16(18,2)3)15(19)13-7-4-5-8-14(13)17/h4-5,7-8,12H,6,9-11H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 112679767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).