1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

C17H14F2N4O2 — CID 7465743

IUPAC1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)c3ccc(OC(F)F)cc3)n2)cc1
InChIInChI=1S/C17H14F2N4O2/c1-11-2-4-13(5-3-11)16-20-22-23(21-16)10-15(24)12-6-8-14(9-7-12)25-17(18)19/h2-9,17H,10H2,1H3
InChIKeyLRSJUBXAXXGGBX-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.13
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (PubChem CID 7465743) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
PubChem CID7465743
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)c3ccc(OC(F)F)cc3)n2)cc1
InChIInChI=1S/C17H14F2N4O2/c1-11-2-4-13(5-3-11)16-20-22-23(21-16)10-15(24)12-6-8-14(9-7-12)25-17(18)19/h2-9,17H,10H2,1H3
InChIKeyLRSJUBXAXXGGBX-UHFFFAOYSA-N
XLogP3.13
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-[5-(4-Methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
CID 2550878
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-1-phenyl-ethanone
CID 649972
1-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]-propan-2-one
CID 653064
Methyl 4-[2-[3-(4-octylphenoxy)-2-oxopropyl]tetrazol-5-yl]benzoate
CID 155511630
Methyl 4-[2-[3-(4-octylphenoxy)-2-oxobutyl]tetrazol-5-yl]benzoate
CID 155512562
Methyl 4-[2-[2-oxo-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]butyl]tetrazol-5-yl]benzoate
CID 155517092
2-(Difluoromethyl)-5-[4-[[5-(4-methoxyphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722355
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-(4-methoxy-phenyl)-ethanone
CID 645312
2-[5-[4-(4-Methoxyphenyl)phenyl]tetrazol-2-yl]-1-phenylethanone
CID 1169419
2-[5-(4-Butoxyphenyl)tetrazol-2-yl]-1-(4-chlorophenyl)ethanone
CID 3166734
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 4788481
1-(4-Methoxyphenyl)-2-(5-phenyl(1,2,3,4-tetraazol-2-yl))ethan-1-one
CID 763906

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (CID 7465743) is 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is Cc1ccc(-c2nnn(CC(=O)c3ccc(OC(F)F)cc3)n2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is LRSJUBXAXXGGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-11-2-4-13(5-3-11)16-20-22-23(21-16)10-15(24)12-6-8-14(9-7-12)25-17(18)19/h2-9,17H,10H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 344.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 7465743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).