1-[(3R,4R)-4-fluorooxolan-3-yl]triazole

C6H8FN3O — CID 174222679

IUPAC1-[(3R,4R)-4-fluorooxolan-3-yl]triazole
SMILESF[C@H]1COC[C@H]1n1ccnn1
InChIInChI=1S/C6H8FN3O/c7-5-3-11-4-6(5)10-2-1-8-9-10/h1-2,5-6H,3-4H2/t5-,6+/m0/s1
InChIKeyMGQHYRAYCALDDE-NTSWFWBYSA-N
MW157.15 g/mol
LogP0.19
Rot. Bonds1

About 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole

1-[(3R,4R)-4-fluorooxolan-3-yl]triazole (PubChem CID 174222679) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole.

Molecular Properties

Compound Name1-[(3R,4R)-4-fluorooxolan-3-yl]triazole
PubChem CID174222679
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name1-[(3R,4R)-4-fluorooxolan-3-yl]triazole
SMILESF[C@H]1COC[C@H]1n1ccnn1
InChIInChI=1S/C6H8FN3O/c7-5-3-11-4-6(5)10-2-1-8-9-10/h1-2,5-6H,3-4H2/t5-,6+/m0/s1
InChIKeyMGQHYRAYCALDDE-NTSWFWBYSA-N
XLogP0.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(3R,4S)-4-(1H-1,2,3-triazol-1-yl)oxolan-3-amine dihydrochloride
CID 165982510
1-[3-(2,2,2-Trifluoroethoxy)propyl]triazole
CID 86798911
1-[2-(2,2,3,3-Tetrafluoropropoxy)ethyl]triazole
CID 91651234
Rac-(3R,4S)-4-(1H-1,2,3-triazol-1-yl)oxolan-3-amine
CID 124709636
(3R,4S)-N,N-dimethyl-4-(triazol-1-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine
CID 154761740
1-(2-Ethoxyethyl)triazole
CID 12538950
1-(Oxolan-3-yl)triazole
CID 22675224
1-(2-Ethoxypropyl)triazole
CID 57039727
1-(1,3-Dimethoxypropan-2-yl)triazole
CID 70615679
1-(3-Ethoxypropyl)triazole
CID 121367220
1-[2-(2-Azidoethoxy)ethyl]triazole
CID 138714491
1-[(3S)-oxan-3-yl]triazole
CID 164913788

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole?
The IUPAC name of 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole (CID 174222679) is 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole.
What is the SMILES notation for 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole?
The canonical SMILES for 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole is F[C@H]1COC[C@H]1n1ccnn1.
What is the InChIKey of 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole?
The InChIKey is MGQHYRAYCALDDE-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H8FN3O/c7-5-3-11-4-6(5)10-2-1-8-9-10/h1-2,5-6H,3-4H2/t5-,6+/m0/s1.
What are the key properties of 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole?
1-[(3R,4R)-4-fluorooxolan-3-yl]triazole has a molecular weight of 157.15 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-fluorooxolan-3-yl]triazole is sourced from PubChem (CID 174222679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).