1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole

C17H15F2N3O — CID 162684820

IUPAC1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole
SMILESFC1(F)CC(n2nnc3cc(OCc4ccccc4)ccc32)C1
InChIInChI=1S/C17H15F2N3O/c18-17(19)9-13(10-17)22-16-7-6-14(8-15(16)20-21-22)23-11-12-4-2-1-3-5-12/h1-8,13H,9-11H2
InChIKeyZAKSHPUQRYLJKM-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.98
Rot. Bonds4

About 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole

1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole (PubChem CID 162684820) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole
PubChem CID162684820
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole
SMILESFC1(F)CC(n2nnc3cc(OCc4ccccc4)ccc32)C1
InChIInChI=1S/C17H15F2N3O/c18-17(19)9-13(10-17)22-16-7-6-14(8-15(16)20-21-22)23-11-12-4-2-1-3-5-12/h1-8,13H,9-11H2
InChIKeyZAKSHPUQRYLJKM-UHFFFAOYSA-N
XLogP3.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-Prop-2-enylphenoxy)ethyl]benzotriazole
CID 2986689
1-[(4-Methoxyphenyl)methyl]benzotriazole
CID 3786348
5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2H-benzotriazole
CID 11417923
1H-Benzotriazole-1-ethanol, 5-ethoxy-
CID 56735
1-[3-Phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]benzotriazole
CID 53319206
1-(9H-xanthen-9-yl)benzotriazole
CID 2837488
4-Prop-2-ynoxy-1-[4-(trifluoromethyl)phenyl]benzotriazole
CID 166442568
1-[3-(4-ethylphenoxy)propyl]-1H-1,2,3-benzotriazole
CID 2991798
1-[4-(2,5-dimethylphenoxy)butyl]-1H-benzotriazole
CID 6490958
1H-Benzotriazole, 1-(o-methoxybenzyl)-
CID 563127
1-[Bis(4-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole
CID 3722102
1-[2-(2,6-dimethylphenoxy)ethyl]-1H-benzotriazole
CID 6490953

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole (CID 162684820) is 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole is FC1(F)CC(n2nnc3cc(OCc4ccccc4)ccc32)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole?
The InChIKey is ZAKSHPUQRYLJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c18-17(19)9-13(10-17)22-16-7-6-14(8-15(16)20-21-22)23-11-12-4-2-1-3-5-12/h1-8,13H,9-11H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole?
1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole has a molecular weight of 315.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-5-phenylmethoxybenzotriazole is sourced from PubChem (CID 162684820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).