2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol

C6H10F3NO — CID 18642600

IUPAC2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESOC([C@@H]1CCCN1)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/t4-,5?/m0/s1
InChIKeyFRCMYJLVRLEIBR-ROLXFIACSA-N
MW169.15 g/mol
LogP0.66
Rot. Bonds1

About 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol

2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol (PubChem CID 18642600) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol
PubChem CID18642600
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol
SMILESOC([C@@H]1CCCN1)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/t4-,5?/m0/s1
InChIKeyFRCMYJLVRLEIBR-ROLXFIACSA-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

Analyze 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol (CID 18642600) is 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol is OC([C@@H]1CCCN1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol?
The InChIKey is FRCMYJLVRLEIBR-ROLXFIACSA-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/t4-,5?/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol?
2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanol 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-[(2S)-pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 18642600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).