(3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one

C11H9FN4O2S — CID 7801850

IUPAC(3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
SMILESO=C1OCC[C@H]1Sc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C11H9FN4O2S/c12-7-2-1-3-8(6-7)16-11(13-14-15-16)19-9-4-5-18-10(9)17/h1-3,6,9H,4-5H2/t9-/m1/s1
InChIKeyWMDNBTYOATXZGP-SECBINFHSA-N
MW280.28 g/mol
LogP1.21
Rot. Bonds3

About (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one

(3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one (PubChem CID 7801850) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
PubChem CID7801850
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC Name(3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
SMILESO=C1OCC[C@H]1Sc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C11H9FN4O2S/c12-7-2-1-3-8(6-7)16-11(13-14-15-16)19-9-4-5-18-10(9)17/h1-3,6,9H,4-5H2/t9-/m1/s1
InChIKeyWMDNBTYOATXZGP-SECBINFHSA-N
XLogP1.21
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
CID 649116
[(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid
CID 675082
3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone
CID 2948751
3-[1-(2-Methylphenyl)tetrazol-5-yl]sulfanyloxolan-2-one
CID 2998282
3-(1-Phenyl-1,2,3,4-tetraazol-5-ylthio)pentane-2,4-dione
CID 2746016
3-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
CID 2967209
Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester
CID 793874
Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 736914
2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamide
CID 673050
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]cyclopentanone
CID 4825695
Tert-butyl 2-fluoro-2-(1-phenyltetrazol-5-yl)sulfonylacetate
CID 101414548
2-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
CID 2772552

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The IUPAC name of (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one (CID 7801850) is (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one.
What is the SMILES notation for (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The canonical SMILES for (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one is O=C1OCC[C@H]1Sc1nnnn1-c1cccc(F)c1.
What is the InChIKey of (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The InChIKey is WMDNBTYOATXZGP-SECBINFHSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c12-7-2-1-3-8(6-7)16-11(13-14-15-16)19-9-4-5-18-10(9)17/h1-3,6,9H,4-5H2/t9-/m1/s1.
What are the key properties of (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
(3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one has a molecular weight of 280.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one is sourced from PubChem (CID 7801850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).