4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one

C14H10F2N4O2 — CID 135703329

IUPAC4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1ccc(OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H10F2N4O2/c15-10-3-1-9(2-4-10)8-22-11-5-6-13(12(16)7-11)20-14(21)17-18-19-20/h1-7H,8H2,(H,17,19,21)
InChIKeyNRRKRFRGNWCXKJ-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.81
Rot. Bonds4

About 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one

4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one (PubChem CID 135703329) has the molecular formula C14H10F2N4O2 and a molecular weight of 304.26 g/mol. Its IUPAC name is 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one
PubChem CID135703329
Molecular FormulaC14H10F2N4O2
Molecular Weight304.26 g/mol
Exact Mass304.08
IUPAC Name4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1ccc(OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C14H10F2N4O2/c15-10-3-1-9(2-4-10)8-22-11-5-6-13(12(16)7-11)20-14(21)17-18-19-20/h1-7H,8H2,(H,17,19,21)
InChIKeyNRRKRFRGNWCXKJ-UHFFFAOYSA-N
XLogP1.81
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one?
The IUPAC name of 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one (CID 135703329) is 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one.
What is the SMILES notation for 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one?
The canonical SMILES for 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one is O=c1[nH]nnn1-c1ccc(OCc2ccc(F)cc2)cc1F.
What is the InChIKey of 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one?
The InChIKey is NRRKRFRGNWCXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2/c15-10-3-1-9(2-4-10)8-22-11-5-6-13(12(16)7-11)20-14(21)17-18-19-20/h1-7H,8H2,(H,17,19,21).
What are the key properties of 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one?
4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one has a molecular weight of 304.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-1H-tetrazol-5-one is sourced from PubChem (CID 135703329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).