2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone

C7H7F6NO2 — CID 167715234

IUPAC2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone
SMILESO=C(N1CC(C(O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C7H7F6NO2/c8-6(9,10)4(15)3-1-14(2-3)5(16)7(11,12)13/h3-4,15H,1-2H2
InChIKeyKQDRXEAKPLHBSN-UHFFFAOYSA-N
MW251.13 g/mol
LogP0.93
Rot. Bonds1

About 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone

2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone (PubChem CID 167715234) has the molecular formula C7H7F6NO2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone
PubChem CID167715234
Molecular FormulaC7H7F6NO2
Molecular Weight251.13 g/mol
Exact Mass251.04
IUPAC Name2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone
SMILESO=C(N1CC(C(O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C7H7F6NO2/c8-6(9,10)4(15)3-1-14(2-3)5(16)7(11,12)13/h3-4,15H,1-2H2
InChIKeyKQDRXEAKPLHBSN-UHFFFAOYSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-[(3S)-3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 95566438
1-(3,4-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 79036490
1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 115006788
1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone
CID 126719279
benzyl 3-(2,2,2-trifluoro-1-hydroxyethyl)azetidine-1-carboxylate
CID 167732486
tert-butyl (3S)-3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxylate
CID 95566444
2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537598
2,2,2-trifluoro-1-(3-fluoro-5-methylpiperidin-1-yl)ethanone
CID 134827930
1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone
CID 167250974
tert-butyl (3aS,6aR)-2-(2,2,2-trifluoroacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 167383689
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-2,2,2-trifluoroethanone
CID 76982617
2-hydroxy-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 58054350

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone (CID 167715234) is 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone is O=C(N1CC(C(O)C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone?
The InChIKey is KQDRXEAKPLHBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6NO2/c8-6(9,10)4(15)3-1-14(2-3)5(16)7(11,12)13/h3-4,15H,1-2H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone has a molecular weight of 251.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 167715234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).