[(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol

C8H14F3NO2 — CID 66261739

IUPAC[(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCOC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)14-5-4-12-3-1-2-7(12)6-13/h7,13H,1-6H2/t7-/m0/s1
InChIKeyVROQRTXXRXHCLM-ZETCQYMHSA-N
MW213.20 g/mol
LogP0.98
Rot. Bonds4

About [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol

[(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 66261739) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol
PubChem CID66261739
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name[(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCOC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)14-5-4-12-3-1-2-7(12)6-13/h7,13H,1-6H2/t7-/m0/s1
InChIKeyVROQRTXXRXHCLM-ZETCQYMHSA-N
XLogP0.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol (CID 66261739) is [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CCOC(F)(F)F.
What is the InChIKey of [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is VROQRTXXRXHCLM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)14-5-4-12-3-1-2-7(12)6-13/h7,13H,1-6H2/t7-/m0/s1.
What are the key properties of [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 213.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66261739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).