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

C7H12F3NO — CID 102380962

IUPAC(1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1CCC[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h5-6,12H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyTUPGAAMPEJHNAT-WDSKDSINSA-N
MW183.17 g/mol
LogP1.00
Rot. Bonds1

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

(1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol (PubChem CID 102380962) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol
PubChem CID102380962
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol
SMILESCN1CCC[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h5-6,12H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyTUPGAAMPEJHNAT-WDSKDSINSA-N
XLogP1.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol (CID 102380962) is (1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol is CN1CCC[C@H]1[C@H](O)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol?
The InChIKey is TUPGAAMPEJHNAT-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h5-6,12H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol?
(1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol has a molecular weight of 183.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 102380962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).