4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole

C12H14FN3O — CID 112719715

IUPAC4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole
SMILESCOc1ccc(F)cc1C(C)Cc1cn[nH]n1
InChIInChI=1S/C12H14FN3O/c1-8(5-10-7-14-16-15-10)11-6-9(13)3-4-12(11)17-2/h3-4,6-8H,5H2,1-2H3,(H,14,15,16)
InChIKeyLHKPAPVLOUPUJB-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.30
Rot. Bonds4

About 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole

4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole (PubChem CID 112719715) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole
PubChem CID112719715
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole
SMILESCOc1ccc(F)cc1C(C)Cc1cn[nH]n1
InChIInChI=1S/C12H14FN3O/c1-8(5-10-7-14-16-15-10)11-6-9(13)3-4-12(11)17-2/h3-4,6-8H,5H2,1-2H3,(H,14,15,16)
InChIKeyLHKPAPVLOUPUJB-UHFFFAOYSA-N
XLogP2.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-bromo-4,5-dimethoxyphenyl)propyl]-2H-triazole
CID 112719708
4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole
CID 112719219
4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole
CID 112719037
4-[2-(2-methoxyphenyl)butyl]-2H-triazole
CID 112718175
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
4-[2-(5-chloro-2,4-diethoxyphenyl)propyl]-2H-triazole
CID 112719680
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole?
The IUPAC name of 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole (CID 112719715) is 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole.
What is the SMILES notation for 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole?
The canonical SMILES for 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole is COc1ccc(F)cc1C(C)Cc1cn[nH]n1.
What is the InChIKey of 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole?
The InChIKey is LHKPAPVLOUPUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(5-10-7-14-16-15-10)11-6-9(13)3-4-12(11)17-2/h3-4,6-8H,5H2,1-2H3,(H,14,15,16).
What are the key properties of 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole?
4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole has a molecular weight of 235.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-methoxyphenyl)propyl]-2H-triazole is sourced from PubChem (CID 112719715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).