2,2,2-trifluoro-1-pyrrolidin-2-ylethanol

C6H10F3NO — CID 22150432

IUPAC2,2,2-trifluoro-1-pyrrolidin-2-ylethanol
SMILESOC(C1CCCN1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h4-5,10-11H,1-3H2
InChIKeyFRCMYJLVRLEIBR-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.66
Rot. Bonds1

About 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol

2,2,2-trifluoro-1-pyrrolidin-2-ylethanol (PubChem CID 22150432) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyrrolidin-2-ylethanol
PubChem CID22150432
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name2,2,2-trifluoro-1-pyrrolidin-2-ylethanol
SMILESOC(C1CCCN1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h4-5,10-11H,1-3H2
InChIKeyFRCMYJLVRLEIBR-UHFFFAOYSA-N
XLogP0.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Prolinol
CID 640091
Prolinol, (R)-
CID 2724541
Prolinol
CID 90908
(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 11073391
(2S,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10534650
(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-ol
CID 509190
1-(Pyrrolidin-2-yl)ethan-1-ol
CID 10129930
1-[(2R)-pyrrolidin-2-yl]ethan-1-ol
CID 55299031
((2S,4R)-4-fluoropyrrolidin-2-yl)methanol hydrochloride
CID 67293842
((2S,4S)-4-fluoropyrrolidin-2-yl)methanol hydrochloride
CID 67295474
1-[(2S)-pyrrolidin-2-yl]ethan-1-ol
CID 68899378
((2R)-4,4-difluoropyrrolidin-2-yl)methanol hydrochloride
CID 72207690

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol (CID 22150432) is 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol is OC(C1CCCN1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol?
The InChIKey is FRCMYJLVRLEIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h4-5,10-11H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol?
2,2,2-trifluoro-1-pyrrolidin-2-ylethanol has a molecular weight of 169.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 22150432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).