4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one

C10H11FN4O — CID 135984005

IUPAC4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one
SMILESCCC(c1ccc(F)cc1)n1nn[nH]c1=O
InChIInChI=1S/C10H11FN4O/c1-2-9(15-10(16)12-13-14-15)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,14,16)
InChIKeyISFHGGWVGFNXDY-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.10
Rot. Bonds3

About 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one

4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one (PubChem CID 135984005) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one
PubChem CID135984005
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one
SMILESCCC(c1ccc(F)cc1)n1nn[nH]c1=O
InChIInChI=1S/C10H11FN4O/c1-2-9(15-10(16)12-13-14-15)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,14,16)
InChIKeyISFHGGWVGFNXDY-UHFFFAOYSA-N
XLogP1.10
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one?
The IUPAC name of 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one (CID 135984005) is 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one.
What is the SMILES notation for 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one?
The canonical SMILES for 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one is CCC(c1ccc(F)cc1)n1nn[nH]c1=O.
What is the InChIKey of 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one?
The InChIKey is ISFHGGWVGFNXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-2-9(15-10(16)12-13-14-15)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,14,16).
What are the key properties of 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one?
4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one has a molecular weight of 222.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one is sourced from PubChem (CID 135984005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).