1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

C16H20F3NO — CID 106982175

IUPAC1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCC(C)C1(C(=O)Cc2cccc(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C16H20F3NO/c1-11(2)15(6-7-20-10-15)14(21)9-12-4-3-5-13(8-12)16(17,18)19/h3-5,8,11,20H,6-7,9-10H2,1-2H3
InChIKeyXHLTXVCZVYNGFF-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.45
Rot. Bonds4

About 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 106982175) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID106982175
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCC(C)C1(C(=O)Cc2cccc(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C16H20F3NO/c1-11(2)15(6-7-20-10-15)14(21)9-12-4-3-5-13(8-12)16(17,18)19/h3-5,8,11,20H,6-7,9-10H2,1-2H3
InChIKeyXHLTXVCZVYNGFF-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982052
2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982093
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
2-(2,5-difluorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982096
1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116600888
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 106980832
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 99937074
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 106982175) is 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is CC(C)C1(C(=O)Cc2cccc(C(F)(F)F)c2)CCNC1.
What is the InChIKey of 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is XHLTXVCZVYNGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-11(2)15(6-7-20-10-15)14(21)9-12-4-3-5-13(8-12)16(17,18)19/h3-5,8,11,20H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 299.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 106982175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).