[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone

C15H11FN4O — CID 12012844

IUPAC[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nnnn1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN4O/c16-13-8-6-11(7-9-13)10-20-15(17-18-19-20)14(21)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVTZPXGLLTNYQQY-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.09
Rot. Bonds4

About [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone

[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone (PubChem CID 12012844) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone
PubChem CID12012844
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nnnn1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN4O/c16-13-8-6-11(7-9-13)10-20-15(17-18-19-20)14(21)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyVTZPXGLLTNYQQY-UHFFFAOYSA-N
XLogP2.09
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone?
The IUPAC name of [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone (CID 12012844) is [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1nnnn1Cc1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone?
The InChIKey is VTZPXGLLTNYQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-13-8-6-11(7-9-13)10-20-15(17-18-19-20)14(21)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone?
[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone has a molecular weight of 282.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone is sourced from PubChem (CID 12012844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).