2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid

C16H13FN4O3 — CID 935255

IUPAC2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C16H13FN4O3/c17-14-4-2-1-3-12(14)9-21-19-16(18-20-21)11-5-7-13(8-6-11)24-10-15(22)23/h1-8H,9-10H2,(H,22,23)
InChIKeyFVUVWCPUGSJHAM-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid

2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid (PubChem CID 935255) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid
PubChem CID935255
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC Name2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
InChIInChI=1S/C16H13FN4O3/c17-14-4-2-1-3-12(14)9-21-19-16(18-20-21)11-5-7-13(8-6-11)24-10-15(22)23/h1-8H,9-10H2,(H,22,23)
InChIKeyFVUVWCPUGSJHAM-UHFFFAOYSA-N
XLogP1.99
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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CID 10495446
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CID 10518033
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid (CID 935255) is 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid is O=C(O)COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1.
What is the InChIKey of 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid?
The InChIKey is FVUVWCPUGSJHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c17-14-4-2-1-3-12(14)9-21-19-16(18-20-21)11-5-7-13(8-6-11)24-10-15(22)23/h1-8H,9-10H2,(H,22,23).
What are the key properties of 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid?
2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid has a molecular weight of 328.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 935255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).