2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol

C7H11F3O2 — CID 145143956

IUPAC2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol
SMILESC[C@H]1CC[C@@H](C(O)C(F)(F)F)O1
InChIInChI=1S/C7H11F3O2/c1-4-2-3-5(12-4)6(11)7(8,9)10/h4-6,11H,2-3H2,1H3/t4-,5-,6?/m0/s1
InChIKeyMBCWFAOEQUWOSL-HVYQYDHPSA-N
MW184.16 g/mol
LogP1.48
Rot. Bonds1

About 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol

2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol (PubChem CID 145143956) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol
PubChem CID145143956
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol
SMILESC[C@H]1CC[C@@H](C(O)C(F)(F)F)O1
InChIInChI=1S/C7H11F3O2/c1-4-2-3-5(12-4)6(11)7(8,9)10/h4-6,11H,2-3H2,1H3/t4-,5-,6?/m0/s1
InChIKeyMBCWFAOEQUWOSL-HVYQYDHPSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol (CID 145143956) is 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol is C[C@H]1CC[C@@H](C(O)C(F)(F)F)O1.
What is the InChIKey of 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol?
The InChIKey is MBCWFAOEQUWOSL-HVYQYDHPSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-4-2-3-5(12-4)6(11)7(8,9)10/h4-6,11H,2-3H2,1H3/t4-,5-,6?/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol?
2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol has a molecular weight of 184.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2S,5S)-5-methyloxolan-2-yl]ethanol is sourced from PubChem (CID 145143956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).