2-(3,3-difluoro-4-phenylmethoxybutyl)triazole

C13H15F2N3O — CID 146967401

IUPAC2-(3,3-difluoro-4-phenylmethoxybutyl)triazole
SMILESFC(F)(CCn1nccn1)COCc1ccccc1
InChIInChI=1S/C13H15F2N3O/c14-13(15,6-9-18-16-7-8-17-18)11-19-10-12-4-2-1-3-5-12/h1-5,7-8H,6,9-11H2
InChIKeyALTMBHHOCSBTDR-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.52
Rot. Bonds7

About 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole

2-(3,3-difluoro-4-phenylmethoxybutyl)triazole (PubChem CID 146967401) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole.

Molecular Properties

Compound Name2-(3,3-difluoro-4-phenylmethoxybutyl)triazole
PubChem CID146967401
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(3,3-difluoro-4-phenylmethoxybutyl)triazole
SMILESFC(F)(CCn1nccn1)COCc1ccccc1
InChIInChI=1S/C13H15F2N3O/c14-13(15,6-9-18-16-7-8-17-18)11-19-10-12-4-2-1-3-5-12/h1-5,7-8H,6,9-11H2
InChIKeyALTMBHHOCSBTDR-UHFFFAOYSA-N
XLogP2.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[(2,2-difluoro-3-phenylmethoxypropoxy)methyl]benzene
CID 101245599
2-(3-fluoro-4-phenylmethoxybutyl)triazole
CID 134462837
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867
3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol
CID 175133057
2,2-difluorobut-3-enoxymethylbenzene
CID 170548757
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
CID 135182123
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
1-[1,1-di(pyrazol-1-yl)-2-[[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]ethyl]pyrazole
CID 12057030
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole?
The IUPAC name of 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole (CID 146967401) is 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole.
What is the SMILES notation for 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole?
The canonical SMILES for 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole is FC(F)(CCn1nccn1)COCc1ccccc1.
What is the InChIKey of 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole?
The InChIKey is ALTMBHHOCSBTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c14-13(15,6-9-18-16-7-8-17-18)11-19-10-12-4-2-1-3-5-12/h1-5,7-8H,6,9-11H2.
What are the key properties of 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole?
2-(3,3-difluoro-4-phenylmethoxybutyl)triazole has a molecular weight of 267.28 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-4-phenylmethoxybutyl)triazole is sourced from PubChem (CID 146967401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).