2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol

C15H13F2N5O — CID 135372283

IUPAC2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H13F2N5O/c16-12-6-5-10(9-13(12)17)18-14-4-2-1-3-11(14)15-19-21-22(20-15)7-8-23/h1-6,9,18,23H,7-8H2
InChIKeyXUVMKSVIDBSVTB-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.35
Rot. Bonds5

About 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol

2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol (PubChem CID 135372283) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol
PubChem CID135372283
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H13F2N5O/c16-12-6-5-10(9-13(12)17)18-14-4-2-1-3-11(14)15-19-21-22(20-15)7-8-23/h1-6,9,18,23H,7-8H2
InChIKeyXUVMKSVIDBSVTB-UHFFFAOYSA-N
XLogP2.35
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol (CID 135372283) is 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccccc2Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol?
The InChIKey is XUVMKSVIDBSVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c16-12-6-5-10(9-13(12)17)18-14-4-2-1-3-11(14)15-19-21-22(20-15)7-8-23/h1-6,9,18,23H,7-8H2.
What are the key properties of 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol?
2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol has a molecular weight of 317.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3,4-difluoroanilino)phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 135372283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).