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

C14H16F3NO — CID 112739545

IUPAC1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCC1NCCC1C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-9-11(6-7-18-9)13(19)8-10-4-2-3-5-12(10)14(15,16)17/h2-5,9,11,18H,6-8H2,1H3
InChIKeyCVZFNWNVKNJOOD-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.82
Rot. Bonds3

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

1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 112739545) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID112739545
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCC1NCCC1C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-9-11(6-7-18-9)13(19)8-10-4-2-3-5-12(10)14(15,16)17/h2-5,9,11,18H,6-8H2,1H3
InChIKeyCVZFNWNVKNJOOD-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone
CID 116592173
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 171949909
(2S)-3-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71059351
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
(2S,4S)-N-cyclopropyl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621334
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 171949918
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149
1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22248330
(2R)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685551
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (CID 112739545) is 1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is CC1NCCC1C(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is CVZFNWNVKNJOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-9-11(6-7-18-9)13(19)8-10-4-2-3-5-12(10)14(15,16)17/h2-5,9,11,18H,6-8H2,1H3.
What are the key properties of 1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 271.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 112739545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).