[(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol

C14H20FNO3 — CID 143834640

IUPAC[(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol
SMILESCN[C@@]1(c2ccccc2F)COC(COC)[C@H]1CO
InChIInChI=1S/C14H20FNO3/c1-16-14(10-5-3-4-6-12(10)15)9-19-13(8-18-2)11(14)7-17/h3-6,11,13,16-17H,7-9H2,1-2H3/t11-,13?,14-/m1/s1
InChIKeyBKTKZSSZJKXWEM-AODWJNRKSA-N
MW269.32 g/mol
LogP0.89
Rot. Bonds5

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

[(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol (PubChem CID 143834640) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is [(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol
PubChem CID143834640
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name[(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol
SMILESCN[C@@]1(c2ccccc2F)COC(COC)[C@H]1CO
InChIInChI=1S/C14H20FNO3/c1-16-14(10-5-3-4-6-12(10)15)9-19-13(8-18-2)11(14)7-17/h3-6,11,13,16-17H,7-9H2,1-2H3/t11-,13?,14-/m1/s1
InChIKeyBKTKZSSZJKXWEM-AODWJNRKSA-N
XLogP0.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol (CID 143834640) is [(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol is CN[C@@]1(c2ccccc2F)COC(COC)[C@H]1CO.
What is the InChIKey of [(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol?
The InChIKey is BKTKZSSZJKXWEM-AODWJNRKSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-16-14(10-5-3-4-6-12(10)15)9-19-13(8-18-2)11(14)7-17/h3-6,11,13,16-17H,7-9H2,1-2H3/t11-,13?,14-/m1/s1.
What are the key properties of [(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol?
[(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol has a molecular weight of 269.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(2-fluorophenyl)-2-(methoxymethyl)-4-(methylamino)oxolan-3-yl]methanol is sourced from PubChem (CID 143834640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).