1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole

C17H15F2N3 — CID 123171054

IUPAC1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole
SMILESCC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C17H15F2N3/c1-17(10-22-12-20-11-21-22,13-6-8-14(18)9-7-13)15-4-2-3-5-16(15)19/h2-9,11-12H,10H2,1H3
InChIKeyNTNGSGOAVMMIOR-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.56
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole

1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole (PubChem CID 123171054) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole
PubChem CID123171054
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC Name1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole
SMILESCC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C17H15F2N3/c1-17(10-22-12-20-11-21-22,13-6-8-14(18)9-7-13)15-4-2-3-5-16(15)19/h2-9,11-12H,10H2,1H3
InChIKeyNTNGSGOAVMMIOR-UHFFFAOYSA-N
XLogP3.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-amino-2-(2-fluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10658310
(2R,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
CID 3007682
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
(2S)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 66676543
1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;methane
CID 159552172
2-(4-fluorophenyl)-5,5-dimethyl-1-(1,2,4-triazol-1-yl)hexane-2,4-diol
CID 19886505
(4Z)-2-(4-fluorophenyl)-4-hydroxyimino-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 88615522
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoate
CID 67913094
3-methyl-3-methylsulfanyl-1-(1,2,4-triazol-1-yl)-2-[2-(trifluoromethyl)phenyl]butan-2-ol
CID 22645501
(2S,3R)-2-(2,5-difluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
CID 124577307
2,2-diethyl-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanoic acid
CID 67816989
1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole (CID 123171054) is 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole is CC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole?
The InChIKey is NTNGSGOAVMMIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c1-17(10-22-12-20-11-21-22,13-6-8-14(18)9-7-13)15-4-2-3-5-16(15)19/h2-9,11-12H,10H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole?
1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole has a molecular weight of 299.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole is sourced from PubChem (CID 123171054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).