(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate

C15H11FN4O2 — CID 30393199

IUPAC(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1ccccc1F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H11FN4O2/c16-14-7-2-1-4-12(14)9-22-15(21)11-5-3-6-13(8-11)20-10-17-18-19-20/h1-8,10H,9H2
InChIKeyGIVBZJCCBCFAGJ-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.16
Rot. Bonds4

About (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate

(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate (PubChem CID 30393199) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
PubChem CID30393199
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1ccccc1F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H11FN4O2/c16-14-7-2-1-4-12(14)9-22-15(21)11-5-3-6-13(8-11)20-10-17-18-19-20/h1-8,10H,9H2
InChIKeyGIVBZJCCBCFAGJ-UHFFFAOYSA-N
XLogP2.16
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194676
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 30431324
(4-cyanophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194671
(3-bromo-2-fluorophenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 146023925
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 4804274
[2-(4-chloroanilino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195036
(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate
CID 9405642
ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 41195072
(2-fluorophenyl)methyl 3-cyanobenzoate
CID 2626137
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55730925
2-(3-bromophenoxy)ethyl 3-(tetrazol-1-yl)benzoate
CID 18080462

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate?
The IUPAC name of (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate (CID 30393199) is (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate is O=C(OCc1ccccc1F)c1cccc(-n2cnnn2)c1.
What is the InChIKey of (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate?
The InChIKey is GIVBZJCCBCFAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-14-7-2-1-4-12(14)9-22-15(21)11-5-3-6-13(8-11)20-10-17-18-19-20/h1-8,10H,9H2.
What are the key properties of (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate?
(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate has a molecular weight of 298.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 30393199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).