2-butyl-5,6-difluorobenzotriazole

C10H11F2N3 — CID 118197396

IUPAC2-butyl-5,6-difluorobenzotriazole
SMILESCCCCn1nc2cc(F)c(F)cc2n1
InChIInChI=1S/C10H11F2N3/c1-2-3-4-15-13-9-5-7(11)8(12)6-10(9)14-15/h5-6H,2-4H2,1H3
InChIKeyNFPBUDSERDIHJI-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.51
Rot. Bonds3

About 2-butyl-5,6-difluorobenzotriazole

2-butyl-5,6-difluorobenzotriazole (PubChem CID 118197396) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-butyl-5,6-difluorobenzotriazole.

Molecular Properties

Compound Name2-butyl-5,6-difluorobenzotriazole
PubChem CID118197396
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name2-butyl-5,6-difluorobenzotriazole
SMILESCCCCn1nc2cc(F)c(F)cc2n1
InChIInChI=1S/C10H11F2N3/c1-2-3-4-15-13-9-5-7(11)8(12)6-10(9)14-15/h5-6H,2-4H2,1H3
InChIKeyNFPBUDSERDIHJI-UHFFFAOYSA-N
XLogP2.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 1H-benzotriazolide
CID 3517935
2-Methyl-1,2,3-benzotriazole
CID 85498
1-Chlorobenzotriazole
CID 88761
N-butylbenzotriazol-1-amine
CID 155560451
2H-Benzotriazole, 2-phenyl-
CID 154096
2-Ethylbenzotriazole
CID 590090
2-Butyl-2H-benzo[d][1,2,3]triazole
CID 3343351
1-(Trimethylsilyl)-1H-benzotriazole
CID 3558326
1H-Benzotriazole, potassium salt (1:1)
CID 11105616
N-hexylbenzotriazol-1-amine
CID 155559982
2-Hexyl-2H-1,2,3-benzotriazole
CID 3797398
2-Propylbenzotriazole
CID 4311536

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-difluorobenzotriazole?
The IUPAC name of 2-butyl-5,6-difluorobenzotriazole (CID 118197396) is 2-butyl-5,6-difluorobenzotriazole.
What is the SMILES notation for 2-butyl-5,6-difluorobenzotriazole?
The canonical SMILES for 2-butyl-5,6-difluorobenzotriazole is CCCCn1nc2cc(F)c(F)cc2n1.
What is the InChIKey of 2-butyl-5,6-difluorobenzotriazole?
The InChIKey is NFPBUDSERDIHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-2-3-4-15-13-9-5-7(11)8(12)6-10(9)14-15/h5-6H,2-4H2,1H3.
What are the key properties of 2-butyl-5,6-difluorobenzotriazole?
2-butyl-5,6-difluorobenzotriazole has a molecular weight of 211.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-difluorobenzotriazole is sourced from PubChem (CID 118197396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).