carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole

C15H10FN3O2 — CID 157125996

IUPACcarbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole
SMILESFc1ccccc1-c1cn(-c2ccccc2)nn1.O=C=O
InChIInChI=1S/C14H10FN3.CO2/c15-13-9-5-4-8-12(13)14-10-18(17-16-14)11-6-2-1-3-7-11;2-1-3/h1-10H;
InChIKeyAIMWTIKUSJSHDW-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.49
Rot. Bonds2

About carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole

carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole (PubChem CID 157125996) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole.

Molecular Properties

Compound Namecarbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole
PubChem CID157125996
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Namecarbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole
SMILESFc1ccccc1-c1cn(-c2ccccc2)nn1.O=C=O
InChIInChI=1S/C14H10FN3.CO2/c15-13-9-5-4-8-12(13)14-10-18(17-16-14)11-6-2-1-3-7-11;2-1-3/h1-10H;
InChIKeyAIMWTIKUSJSHDW-UHFFFAOYSA-N
XLogP2.49
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-dione
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1-phenyl-4-(4-phenylphenyl)triazole
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carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
CID 157181337
4-(2-bromophenyl)-1-(4-bromophenyl)triazole
CID 102455880
1-(4-chlorophenyl)-4-(2-nitrophenyl)triazole
CID 132536796
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
4-(4-naphthalen-1-yltriazol-1-yl)benzoic acid
CID 66616177
ethane;4-(1-phenyltriazol-4-yl)benzaldehyde
CID 91438948
4-(2-nitrophenyl)-1-(4-nitrophenyl)triazole
CID 101463885
(2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol
CID 132505048
N'-(2-fluorobenzoyl)-1-phenyltriazole-4-carbohydrazide
CID 46422486
pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
CID 102367699

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole?
The IUPAC name of carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole (CID 157125996) is carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole.
What is the SMILES notation for carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole?
The canonical SMILES for carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole is Fc1ccccc1-c1cn(-c2ccccc2)nn1.O=C=O.
What is the InChIKey of carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole?
The InChIKey is AIMWTIKUSJSHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3.CO2/c15-13-9-5-4-8-12(13)14-10-18(17-16-14)11-6-2-1-3-7-11;2-1-3/h1-10H;.
What are the key properties of carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole?
carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole has a molecular weight of 283.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole is sourced from PubChem (CID 157125996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).