(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol

C11H14FNO2 — CID 93384215

IUPAC(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-8(2-4-9)5-13-10-6-15-7-11(10)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m1/s1
InChIKeyWJZPHIDOFXUGAF-GHMZBOCLSA-N
MW211.24 g/mol
LogP0.68
Rot. Bonds3

About (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol

(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol (PubChem CID 93384215) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
PubChem CID93384215
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-8(2-4-9)5-13-10-6-15-7-11(10)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m1/s1
InChIKeyWJZPHIDOFXUGAF-GHMZBOCLSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
CID 86315428
N-[(4-fluorophenyl)methyl]oxetan-3-amine
CID 56604676
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
CID 93384643
4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919708
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
CID 107230514
4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 60665713
(2S,4R,5R)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol
CID 11303888
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide
CID 155996080
(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 46956016
(3S,4R)-4-(1H-pyrazol-5-ylmethylamino)oxolan-3-ol
CID 130680255
4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536640

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol (CID 93384215) is (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol is O[C@@H]1COC[C@H]1NCc1ccc(F)cc1.
What is the InChIKey of (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol?
The InChIKey is WJZPHIDOFXUGAF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-3-1-8(2-4-9)5-13-10-6-15-7-11(10)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol?
(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol has a molecular weight of 211.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol is sourced from PubChem (CID 93384215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).