1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone

C18H16F4N2O2 — CID 133446287

IUPAC1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C18H16F4N2O2/c1-11(25)17-14(19)3-2-4-15(17)24-8-7-13(10-24)26-16-6-5-12(9-23-16)18(20,21)22/h2-6,9,13H,7-8,10H2,1H3
InChIKeyYMTSEJBPNVVLAP-UHFFFAOYSA-N
MW368.33 g/mol
LogP4.10
Rot. Bonds4

About 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone

1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone (PubChem CID 133446287) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
PubChem CID133446287
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC Name1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C18H16F4N2O2/c1-11(25)17-14(19)3-2-4-15(17)24-8-7-13(10-24)26-16-6-5-12(9-23-16)18(20,21)22/h2-6,9,13H,7-8,10H2,1H3
InChIKeyYMTSEJBPNVVLAP-UHFFFAOYSA-N
XLogP4.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(trifluoromethyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 156814447
2-[(3R)-1-(2-nitrophenyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 156815273
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
CID 166070002
2-phenyl-5-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 175576181
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 133446274
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213
5-(aminomethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
CID 166683158
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
CID 156815214
CID 156815214
(E)-3-[5-bromo-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]prop-2-enoic acid
CID 170313315
1-[5-phenyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanol
CID 170313406
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
CID 133446164

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone (CID 133446287) is 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone is CC(=O)c1c(F)cccc1N1CCC(Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone?
The InChIKey is YMTSEJBPNVVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-11(25)17-14(19)3-2-4-15(17)24-8-7-13(10-24)26-16-6-5-12(9-23-16)18(20,21)22/h2-6,9,13H,7-8,10H2,1H3.
What are the key properties of 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone?
1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone has a molecular weight of 368.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 133446287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).