(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol

C7H12F3NO2 — CID 129321905

IUPAC(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOCCN1CC[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)6(13)1-2-11(5-6)3-4-12/h12-13H,1-5H2/t6-/m0/s1
InChIKeyHDZSQYUPNGQRAU-LURJTMIESA-N
MW199.17 g/mol
LogP-0.02
Rot. Bonds2

About (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol

(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 129321905) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID129321905
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOCCN1CC[C@@](O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)6(13)1-2-11(5-6)3-4-12/h12-13H,1-5H2/t6-/m0/s1
InChIKeyHDZSQYUPNGQRAU-LURJTMIESA-N
XLogP-0.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromoethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130524207
(3S)-1-(3-methoxypropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97221959
5-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentanenitrile
CID 86778545
1-propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113251757
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
CID 126978498
1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708729
1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 121203305
3-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 126774942
3-[bromo(difluoro)methyl]-1-propylpyrrolidin-3-ol
CID 131048262
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113251758

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 129321905) is (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol is OCCN1CC[C@@](O)(C(F)(F)F)C1.
What is the InChIKey of (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is HDZSQYUPNGQRAU-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F3NO2/c8-7(9,10)6(13)1-2-11(5-6)3-4-12/h12-13H,1-5H2/t6-/m0/s1.
What are the key properties of (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 199.17 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 129321905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).