5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole

C16H14F2N4O — CID 154721135

IUPAC5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnnc2-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N4O/c1-23-14-8-2-11(3-9-14)10-22-16(19-20-21-22)13-6-4-12(5-7-13)15(17)18/h2-9,15H,10H2,1H3
InChIKeyFIWSNXBJWYYBFN-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.33
Rot. Bonds5

About 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole

5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole (PubChem CID 154721135) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole
PubChem CID154721135
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnnc2-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N4O/c1-23-14-8-2-11(3-9-14)10-22-16(19-20-21-22)13-6-4-12(5-7-13)15(17)18/h2-9,15H,10H2,1H3
InChIKeyFIWSNXBJWYYBFN-UHFFFAOYSA-N
XLogP3.33
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-1H-indole
CID 155934782
5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23019982
5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23020046
1-(4-methoxyphenyl)-4-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 1446855
3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66045094
4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 61352207
5-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 102644508
2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 38841871
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
ethyl 4-cyano-5-ethyl-3-[4-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-1-methylpyrrole-2-carboxylate
CID 69020309
1-(4-fluorophenyl)-4-[(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209998
1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209982

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole (CID 154721135) is 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole is COc1ccc(Cn2nnnc2-c2ccc(C(F)F)cc2)cc1.
What is the InChIKey of 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole?
The InChIKey is FIWSNXBJWYYBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-23-14-8-2-11(3-9-14)10-22-16(19-20-21-22)13-6-4-12(5-7-13)15(17)18/h2-9,15H,10H2,1H3.
What are the key properties of 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole?
5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole has a molecular weight of 316.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 154721135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).