[(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol

C6H10F3NO — CID 55277936

IUPAC[(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@]1(C(F)(F)F)CCCN1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(4-11)2-1-3-10-5/h10-11H,1-4H2/t5-/m0/s1
InChIKeyLQAUJJXOOOCFAF-YFKPBYRVSA-N
MW169.15 g/mol
LogP0.66
Rot. Bonds1

About [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol

[(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol (PubChem CID 55277936) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol
PubChem CID55277936
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name[(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@]1(C(F)(F)F)CCCN1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(4-11)2-1-3-10-5/h10-11H,1-4H2/t5-/m0/s1
InChIKeyLQAUJJXOOOCFAF-YFKPBYRVSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol (CID 55277936) is [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol is OC[C@]1(C(F)(F)F)CCCN1.
What is the InChIKey of [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The InChIKey is LQAUJJXOOOCFAF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5(4-11)2-1-3-10-5/h10-11H,1-4H2/t5-/m0/s1.
What are the key properties of [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol?
[(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol 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 [(2S)-2-(trifluoromethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 55277936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).