1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole

C17H14F3N3 — CID 70481120

IUPAC1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole
SMILESCC(n1cncn1)C(F)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14F3N3/c1-12(23-11-21-10-22-23)17(20,13-2-6-15(18)7-3-13)14-4-8-16(19)9-5-14/h2-12H,1H3
InChIKeyUJWYZXVEXJDERP-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.03
Rot. Bonds4

About 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole

1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole (PubChem CID 70481120) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole
PubChem CID70481120
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole
SMILESCC(n1cncn1)C(F)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14F3N3/c1-12(23-11-21-10-22-23)17(20,13-2-6-15(18)7-3-13)14-4-8-16(19)9-5-14/h2-12H,1H3
InChIKeyUJWYZXVEXJDERP-UHFFFAOYSA-N
XLogP4.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol
CID 10804679
1-[3-[(4-fluorophenoxy)methyl]-3-methoxy-4,4-dimethylpentan-2-yl]-1,2,4-triazole
CID 23042744
1-fluoro-3-[(4-fluorophenoxy)methyl]-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
CID 70521691
1-[(4-tert-butylphenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole
CID 166717811
1-(4-fluorophenyl)-3,4,4-trimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 12941295
3-(4-fluorophenyl)-2-methyl-4-silyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;oxalic acid
CID 173350686
4,4,4-trichloro-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)butane-1,3-diol
CID 12902589
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 111109338
9-(4-fluorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)nonan-3-ol
CID 70905112
1-(3-methylbutan-2-yl)-1,2,4-triazole
CID 58125125
1-[3-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)butan-2-yl]-1,2,4-triazole
CID 23164279
(2S)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 66676543

Frequently Asked Questions

What is the IUPAC name of 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole?
The IUPAC name of 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole (CID 70481120) is 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole is CC(n1cncn1)C(F)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole?
The InChIKey is UJWYZXVEXJDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-12(23-11-21-10-22-23)17(20,13-2-6-15(18)7-3-13)14-4-8-16(19)9-5-14/h2-12H,1H3.
What are the key properties of 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole?
1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole has a molecular weight of 317.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole is sourced from PubChem (CID 70481120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).