1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone

C15H10F2N4O — CID 8676792

IUPAC1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)c1cccc(F)c1
InChIInChI=1S/C15H10F2N4O/c16-12-5-1-3-10(7-12)14(22)9-21-19-15(18-20-21)11-4-2-6-13(17)8-11/h1-8H,9H2
InChIKeyNFSHFVWFBPADGA-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.50
Rot. Bonds4

About 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone

1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone (PubChem CID 8676792) has the molecular formula C15H10F2N4O and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
PubChem CID8676792
Molecular FormulaC15H10F2N4O
Molecular Weight300.27 g/mol
Exact Mass300.08
IUPAC Name1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2cccc(F)c2)n1)c1cccc(F)c1
InChIInChI=1S/C15H10F2N4O/c16-12-5-1-3-10(7-12)14(22)9-21-19-15(18-20-21)11-4-2-6-13(17)8-11/h1-8H,9H2
InChIKeyNFSHFVWFBPADGA-UHFFFAOYSA-N
XLogP2.50
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286
N-(4-bromophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491173
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17405916
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 41436763
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7491301
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
N-(3,3-diphenylpropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7491021
N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide
CID 8023933

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone (CID 8676792) is 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone is O=C(Cn1nnc(-c2cccc(F)c2)n1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone?
The InChIKey is NFSHFVWFBPADGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-12-5-1-3-10(7-12)14(22)9-21-19-15(18-20-21)11-4-2-6-13(17)8-11/h1-8H,9H2.
What are the key properties of 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone?
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone has a molecular weight of 300.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 8676792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).