cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

C16H18F3NO — CID 95290891

IUPACcyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H18F3NO/c17-16(18,19)13-8-2-1-7-12(13)14-9-4-10-20(14)15(21)11-5-3-6-11/h1-2,7-8,11,14H,3-6,9-10H2/t14-/m0/s1
InChIKeyBTZUCYQFGFJTFU-AWEZNQCLSA-N
MW297.32 g/mol
LogP4.17
Rot. Bonds2

About cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 95290891) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID95290891
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Namecyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H18F3NO/c17-16(18,19)13-8-2-1-7-12(13)14-9-4-10-20(14)15(21)11-5-3-6-11/h1-2,7-8,11,14H,3-6,9-10H2/t14-/m0/s1
InChIKeyBTZUCYQFGFJTFU-AWEZNQCLSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]pyrazole-4-carboxylic acid
CID 146108561
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 146085152
[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 129479891
[2-oxo-2-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl] N-tert-butylcarbamate
CID 174931684
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 154852522
[4-[5-cyclopropyl-4-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;hydrochloride
CID 67434066
1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 55890319
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
N-(3-ethylphenyl)-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide
CID 45489222
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (CID 95290891) is cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is O=C(C1CCC1)N1CCC[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is BTZUCYQFGFJTFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18F3NO/c17-16(18,19)13-8-2-1-7-12(13)14-9-4-10-20(14)15(21)11-5-3-6-11/h1-2,7-8,11,14H,3-6,9-10H2/t14-/m0/s1.
What are the key properties of cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 297.32 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(2S)-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95290891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).