1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol

C8H14F3NO — CID 112628279

IUPAC1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6(13)7-2-3-12(4-7)5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyVNRJYBJHQKSBPP-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.25
Rot. Bonds2

About 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol

1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol (PubChem CID 112628279) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
PubChem CID112628279
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-6(13)7-2-3-12(4-7)5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyVNRJYBJHQKSBPP-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

((3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl)methanol
CID 134249504
1-(1,3-Dimethylpyrrolidin-3-yl)-3,3,3-trifluoropropan-1-ol
CID 60007018
2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 60007094
2,2,2-Trifluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 60007123
[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]methanol
CID 62370649
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol
CID 66815390
1-(1-Tert-butylpyrrolidin-3-yl)-2-fluoroethanol
CID 66815505
3-[3-(1-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281088
2,2,2-Trifluoro-1-(1-methylpiperidin-4-yl)ethan-1-ol
CID 67400457
4,4-Difluoro-5-(pyrrolidin-1-yl)pentan-2-ol
CID 69672148
1-(2,2-Difluoropyrrolidin-3-yl)ethanol
CID 69798619
1,1,1-Trifluoro-2-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 83980582

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol (CID 112628279) is 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is VNRJYBJHQKSBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(13)7-2-3-12(4-7)5-8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol?
1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 197.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).