5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole

C11H9F4N3 — CID 174934350

IUPAC5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole
SMILESCCc1cnnn1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F4N3/c1-2-7-6-16-17-18(7)8-3-4-10(12)9(5-8)11(13,14)15/h3-6H,2H2,1H3
InChIKeyRNTZJJVPCDEOGW-UHFFFAOYSA-N
MW259.21 g/mol
LogP2.99
Rot. Bonds2

About 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole

5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole (PubChem CID 174934350) has the molecular formula C11H9F4N3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole
PubChem CID174934350
Molecular FormulaC11H9F4N3
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole
SMILESCCc1cnnn1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F4N3/c1-2-7-6-16-17-18(7)8-3-4-10(12)9(5-8)11(13,14)15/h3-6H,2H2,1H3
InChIKeyRNTZJJVPCDEOGW-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(methylaminomethyl)triazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 107451687
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 62763682
N-[[3-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]cyclopropanamine
CID 107451258
5-tert-butyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-amine
CID 79496627
1-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]ethanone
CID 61227471
2-[3-(3-ethyl-4-methylphenyl)triazol-4-yl]acetic acid
CID 114250492
1-[3-[3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167254
1-[3-(3-fluorophenyl)triazol-4-yl]-2-methylpropan-2-ol
CID 117167225
4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline
CID 43617261
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
N-[[3-(3,4,5-trifluorophenyl)triazol-4-yl]methyl]ethanamine
CID 107451598
N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451133

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole (CID 174934350) is 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole is CCc1cnnn1-c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole?
The InChIKey is RNTZJJVPCDEOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3/c1-2-7-6-16-17-18(7)8-3-4-10(12)9(5-8)11(13,14)15/h3-6H,2H2,1H3.
What are the key properties of 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole?
5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole has a molecular weight of 259.21 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 174934350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).