(2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol

C13H17F2NO2 — CID 159454774

IUPAC(2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol
SMILESC[C@H]1OC[C@H]([C@@](N)(CF)c2ccccc2F)[C@@H]1O
InChIInChI=1S/C13H17F2NO2/c1-8-12(17)10(6-18-8)13(16,7-14)9-4-2-3-5-11(9)15/h2-5,8,10,12,17H,6-7,16H2,1H3/t8-,10+,12-,13-/m1/s1
InChIKeySKSSHVRHLFBRMT-MWKLQFHZSA-N
MW257.28 g/mol
LogP1.35
Rot. Bonds3

About (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol

(2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol (PubChem CID 159454774) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol
PubChem CID159454774
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name(2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol
SMILESC[C@H]1OC[C@H]([C@@](N)(CF)c2ccccc2F)[C@@H]1O
InChIInChI=1S/C13H17F2NO2/c1-8-12(17)10(6-18-8)13(16,7-14)9-4-2-3-5-11(9)15/h2-5,8,10,12,17H,6-7,16H2,1H3/t8-,10+,12-,13-/m1/s1
InChIKeySKSSHVRHLFBRMT-MWKLQFHZSA-N
XLogP1.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol?
The IUPAC name of (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol (CID 159454774) is (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol is C[C@H]1OC[C@H]([C@@](N)(CF)c2ccccc2F)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol?
The InChIKey is SKSSHVRHLFBRMT-MWKLQFHZSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8-12(17)10(6-18-8)13(16,7-14)9-4-2-3-5-11(9)15/h2-5,8,10,12,17H,6-7,16H2,1H3/t8-,10+,12-,13-/m1/s1.
What are the key properties of (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol?
(2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol has a molecular weight of 257.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-[(1S)-1-amino-2-fluoro-1-(2-fluorophenyl)ethyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 159454774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).