(3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one

C11H9FN4O2 — CID 8893288

IUPAC(3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one
SMILESO=C1OCC[C@@H]1n1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN4O2/c12-8-3-1-7(2-4-8)10-13-15-16(14-10)9-5-6-18-11(9)17/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeySANIMRMDCLICRX-VIFPVBQESA-N
MW248.22 g/mol
LogP0.97
Rot. Bonds2

About (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one

(3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one (PubChem CID 8893288) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one
PubChem CID8893288
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC Name(3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one
SMILESO=C1OCC[C@@H]1n1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN4O2/c12-8-3-1-7(2-4-8)10-13-15-16(14-10)9-5-6-18-11(9)17/h1-4,9H,5-6H2/t9-/m0/s1
InChIKeySANIMRMDCLICRX-VIFPVBQESA-N
XLogP0.97
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one?
The IUPAC name of (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one (CID 8893288) is (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one?
The canonical SMILES for (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one is O=C1OCC[C@@H]1n1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one?
The InChIKey is SANIMRMDCLICRX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9FN4O2/c12-8-3-1-7(2-4-8)10-13-15-16(14-10)9-5-6-18-11(9)17/h1-4,9H,5-6H2/t9-/m0/s1.
What are the key properties of (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one?
(3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one has a molecular weight of 248.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-(4-fluorophenyl)tetrazol-2-yl]oxolan-2-one is sourced from PubChem (CID 8893288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).