2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole

C15H20FN3O — CID 135182121

IUPAC2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole
SMILESC[C@H](Cn1nccn1)C(C)(F)COCc1ccccc1
InChIInChI=1S/C15H20FN3O/c1-13(10-19-17-8-9-18-19)15(2,16)12-20-11-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3/t13-,15?/m1/s1
InChIKeyXGEPVSRIRLPFBN-AFYYWNPRSA-N
MW277.34 g/mol
LogP2.86
Rot. Bonds7

About 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole

2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole (PubChem CID 135182121) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole.

Molecular Properties

Compound Name2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole
PubChem CID135182121
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole
SMILESC[C@H](Cn1nccn1)C(C)(F)COCc1ccccc1
InChIInChI=1S/C15H20FN3O/c1-13(10-19-17-8-9-18-19)15(2,16)12-20-11-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3/t13-,15?/m1/s1
InChIKeyXGEPVSRIRLPFBN-AFYYWNPRSA-N
XLogP2.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole?
The IUPAC name of 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole (CID 135182121) is 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole.
What is the SMILES notation for 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole?
The canonical SMILES for 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole is C[C@H](Cn1nccn1)C(C)(F)COCc1ccccc1.
What is the InChIKey of 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole?
The InChIKey is XGEPVSRIRLPFBN-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-13(10-19-17-8-9-18-19)15(2,16)12-20-11-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3/t13-,15?/m1/s1.
What are the key properties of 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole?
2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole has a molecular weight of 277.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-fluoro-2,3-dimethyl-4-phenylmethoxybutyl]triazole is sourced from PubChem (CID 135182121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).