1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one

C8H12F3NO2 — CID 126978498

IUPAC1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-6(13)4-12-3-2-7(14,5-12)8(9,10)11/h14H,2-5H2,1H3
InChIKeyOQYFBMTURUZXQC-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.57
Rot. Bonds2

About 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one

1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one (PubChem CID 126978498) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
PubChem CID126978498
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-6(13)4-12-3-2-7(14,5-12)8(9,10)11/h14H,2-5H2,1H3
InChIKeyOQYFBMTURUZXQC-UHFFFAOYSA-N
XLogP0.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
CID 113247488
1-(3,3-difluoropyrrolidin-1-yl)propan-2-one
CID 58245657
(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129321905
1-(2-bromoethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130524207
(3S)-1-(3-methoxypropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97221959
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113251757
N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 75494688
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
5-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentanenitrile
CID 86778545
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120900966

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one?
The IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one (CID 126978498) is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one is CC(=O)CN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one?
The InChIKey is OQYFBMTURUZXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-6(13)4-12-3-2-7(14,5-12)8(9,10)11/h14H,2-5H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one?
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one has a molecular weight of 211.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 126978498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).