(3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol

C13H17F2NO3 — CID 126809236

IUPAC(3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol
SMILESCN(Cc1ccc(OC(F)F)cc1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C13H17F2NO3/c1-16(11-7-18-8-12(11)17)6-9-2-4-10(5-3-9)19-13(14)15/h2-5,11-13,17H,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyTUARNOGZRIDLBH-VXGBXAGGSA-N
MW273.28 g/mol
LogP1.48
Rot. Bonds5

About (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol

(3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol (PubChem CID 126809236) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol
PubChem CID126809236
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name(3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol
SMILESCN(Cc1ccc(OC(F)F)cc1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C13H17F2NO3/c1-16(11-7-18-8-12(11)17)6-9-2-4-10(5-3-9)19-13(14)15/h2-5,11-13,17H,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyTUARNOGZRIDLBH-VXGBXAGGSA-N
XLogP1.48
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolane-3-carboxylic acid
CID 66266684
(3S,4R)-4-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]oxolan-3-ol
CID 126803990
trans-(1S,2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 96567808
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
3-cyclopropyl-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylthiourea
CID 8770320
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
4-[(4-chlorophenyl)methyl-methylamino]-6-methyloxan-3-ol
CID 71081904
2-amino-2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 60938157
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
CID 60938031

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol (CID 126809236) is (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol is CN(Cc1ccc(OC(F)F)cc1)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol?
The InChIKey is TUARNOGZRIDLBH-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-16(11-7-18-8-12(11)17)6-9-2-4-10(5-3-9)19-13(14)15/h2-5,11-13,17H,6-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol?
(3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol has a molecular weight of 273.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]oxolan-3-ol is sourced from PubChem (CID 126809236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).