[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol

C8H7F5N4OS — CID 86691877

IUPAC[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol
SMILESOCc1nnnn1-c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C8H7F5N4OS/c9-19(10,11,12,13)7-3-1-6(2-4-7)17-8(5-18)14-15-16-17/h1-4,18H,5H2
InChIKeyQMHMGPUDKWOKHC-UHFFFAOYSA-N
MW302.23 g/mol
LogP2.81
Rot. Bonds3

About [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol

[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol (PubChem CID 86691877) has the molecular formula C8H7F5N4OS and a molecular weight of 302.23 g/mol. Its IUPAC name is [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol
PubChem CID86691877
Molecular FormulaC8H7F5N4OS
Molecular Weight302.23 g/mol
Exact Mass302.03
IUPAC Name[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol
SMILESOCc1nnnn1-c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C8H7F5N4OS/c9-19(10,11,12,13)7-3-1-6(2-4-7)17-8(5-18)14-15-16-17/h1-4,18H,5H2
InChIKeyQMHMGPUDKWOKHC-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol?
The IUPAC name of [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol (CID 86691877) is [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol.
What is the SMILES notation for [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol?
The canonical SMILES for [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol is OCc1nnnn1-c1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol?
The InChIKey is QMHMGPUDKWOKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N4OS/c9-19(10,11,12,13)7-3-1-6(2-4-7)17-8(5-18)14-15-16-17/h1-4,18H,5H2.
What are the key properties of [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol?
[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol has a molecular weight of 302.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(pentafluoro-λ6-sulfanyl)phenyl]tetrazol-5-yl]methanol is sourced from PubChem (CID 86691877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).