[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol

C14H20FNO2 — CID 58406074

IUPAC[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol
SMILESCC[C@H]1C[C@@H](CO)[C@](N)(c2ccccc2F)CO1
InChIInChI=1S/C14H20FNO2/c1-2-11-7-10(8-17)14(16,9-18-11)12-5-3-4-6-13(12)15/h3-6,10-11,17H,2,7-9,16H2,1H3/t10-,11-,14-/m0/s1
InChIKeyDOXPGHWGRIPTAF-MJVIPROJSA-N
MW253.32 g/mol
LogP1.79
Rot. Bonds3

About [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol

[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol (PubChem CID 58406074) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol
PubChem CID58406074
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol
SMILESCC[C@H]1C[C@@H](CO)[C@](N)(c2ccccc2F)CO1
InChIInChI=1S/C14H20FNO2/c1-2-11-7-10(8-17)14(16,9-18-11)12-5-3-4-6-13(12)15/h3-6,10-11,17H,2,7-9,16H2,1H3/t10-,11-,14-/m0/s1
InChIKeyDOXPGHWGRIPTAF-MJVIPROJSA-N
XLogP1.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol?
The IUPAC name of [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol (CID 58406074) is [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol.
What is the SMILES notation for [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol?
The canonical SMILES for [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol is CC[C@H]1C[C@@H](CO)[C@](N)(c2ccccc2F)CO1.
What is the InChIKey of [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol?
The InChIKey is DOXPGHWGRIPTAF-MJVIPROJSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-11-7-10(8-17)14(16,9-18-11)12-5-3-4-6-13(12)15/h3-6,10-11,17H,2,7-9,16H2,1H3/t10-,11-,14-/m0/s1.
What are the key properties of [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol?
[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol has a molecular weight of 253.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol is sourced from PubChem (CID 58406074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).