5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole

C12H8F2N4 — CID 10778283

IUPAC5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole
SMILESFC(F)(c1ccc2ccccc2c1)c1nn[nH]n1
InChIInChI=1S/C12H8F2N4/c13-12(14,11-15-17-18-16-11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16,17,18)
InChIKeyBHCSRQQEYGEPCC-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.49
Rot. Bonds2

About 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole

5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole (PubChem CID 10778283) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole
PubChem CID10778283
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole
SMILESFC(F)(c1ccc2ccccc2c1)c1nn[nH]n1
InChIInChI=1S/C12H8F2N4/c13-12(14,11-15-17-18-16-11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16,17,18)
InChIKeyBHCSRQQEYGEPCC-UHFFFAOYSA-N
XLogP2.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole?
The IUPAC name of 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole (CID 10778283) is 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole is FC(F)(c1ccc2ccccc2c1)c1nn[nH]n1.
What is the InChIKey of 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole?
The InChIKey is BHCSRQQEYGEPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c13-12(14,11-15-17-18-16-11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16,17,18).
What are the key properties of 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole?
5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole has a molecular weight of 246.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro(naphthalen-2-yl)methyl]-2H-tetrazole is sourced from PubChem (CID 10778283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).