4-cyclopropyl-2-(3-fluorophenyl)triazole

C11H10FN3 — CID 175495580

IUPAC4-cyclopropyl-2-(3-fluorophenyl)triazole
SMILESFc1cccc(-n2ncc(C3CC3)n2)c1
InChIInChI=1S/C11H10FN3/c12-9-2-1-3-10(6-9)15-13-7-11(14-15)8-4-5-8/h1-3,6-8H,4-5H2
InChIKeyYFBIGBCZKZYDRA-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.28
Rot. Bonds2

About 4-cyclopropyl-2-(3-fluorophenyl)triazole

4-cyclopropyl-2-(3-fluorophenyl)triazole (PubChem CID 175495580) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-fluorophenyl)triazole.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-fluorophenyl)triazole
PubChem CID175495580
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name4-cyclopropyl-2-(3-fluorophenyl)triazole
SMILESFc1cccc(-n2ncc(C3CC3)n2)c1
InChIInChI=1S/C11H10FN3/c12-9-2-1-3-10(6-9)15-13-7-11(14-15)8-4-5-8/h1-3,6-8H,4-5H2
InChIKeyYFBIGBCZKZYDRA-UHFFFAOYSA-N
XLogP2.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-phenyl-2H-1,2,3-triazol-4-yl)methylidene]hydroxylamine
CID 135603818
2-phenyl-2H-1,2,3-triazole-4-carbonitrile
CID 3358673
4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
CID 708483
(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
2-(3-Fluorophenyl)triazole
CID 123365637
4-fluoro-N-[(E)-(2-phenyltriazol-4-yl)methylideneamino]aniline
CID 177656751
2-Phenyl-1,2,3-triazole
CID 5079630
4-Methyl-2-phenyl-2h-1,2,3-triazole
CID 12686648
4-(2,4-Difluorophenyl)-2-phenyltriazole
CID 10879727
4-Fluoro-2-phenyltriazole
CID 12686666
4-Fluoro-5-methyl-2-phenyltriazole
CID 12686667
(E)-N-[[2-(2-fluorophenyl)triazol-4-yl]methylidene]hydroxylamine
CID 135746863

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-fluorophenyl)triazole?
The IUPAC name of 4-cyclopropyl-2-(3-fluorophenyl)triazole (CID 175495580) is 4-cyclopropyl-2-(3-fluorophenyl)triazole.
What is the SMILES notation for 4-cyclopropyl-2-(3-fluorophenyl)triazole?
The canonical SMILES for 4-cyclopropyl-2-(3-fluorophenyl)triazole is Fc1cccc(-n2ncc(C3CC3)n2)c1.
What is the InChIKey of 4-cyclopropyl-2-(3-fluorophenyl)triazole?
The InChIKey is YFBIGBCZKZYDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c12-9-2-1-3-10(6-9)15-13-7-11(14-15)8-4-5-8/h1-3,6-8H,4-5H2.
What are the key properties of 4-cyclopropyl-2-(3-fluorophenyl)triazole?
4-cyclopropyl-2-(3-fluorophenyl)triazole has a molecular weight of 203.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-fluorophenyl)triazole is sourced from PubChem (CID 175495580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).