[(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol

C12H13F4NO2 — CID 66869282

IUPAC[(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
SMILESN[C@@]1(c2ccccc2F)CO[C@H](C(F)(F)F)[C@H]1CO
InChIInChI=1S/C12H13F4NO2/c13-9-4-2-1-3-7(9)11(17)6-19-10(8(11)5-18)12(14,15)16/h1-4,8,10,18H,5-6,17H2/t8-,10+,11-/m1/s1
InChIKeyKEAXHJHDEOLCCG-DVVUODLYSA-N
MW279.23 g/mol
LogP1.55
Rot. Bonds2

About [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol

[(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol (PubChem CID 66869282) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
PubChem CID66869282
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name[(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol
SMILESN[C@@]1(c2ccccc2F)CO[C@H](C(F)(F)F)[C@H]1CO
InChIInChI=1S/C12H13F4NO2/c13-9-4-2-1-3-7(9)11(17)6-19-10(8(11)5-18)12(14,15)16/h1-4,8,10,18H,5-6,17H2/t8-,10+,11-/m1/s1
InChIKeyKEAXHJHDEOLCCG-DVVUODLYSA-N
XLogP1.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol?
The IUPAC name of [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol (CID 66869282) is [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol?
The canonical SMILES for [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol is N[C@@]1(c2ccccc2F)CO[C@H](C(F)(F)F)[C@H]1CO.
What is the InChIKey of [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol?
The InChIKey is KEAXHJHDEOLCCG-DVVUODLYSA-N. The full InChI is InChI=1S/C12H13F4NO2/c13-9-4-2-1-3-7(9)11(17)6-19-10(8(11)5-18)12(14,15)16/h1-4,8,10,18H,5-6,17H2/t8-,10+,11-/m1/s1.
What are the key properties of [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol?
[(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol has a molecular weight of 279.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-4-amino-4-(2-fluorophenyl)-2-(trifluoromethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 66869282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).