4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol

C9H8F2N4OS — CID 54937608

IUPAC4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCC(F)F)cc1
InChIInChI=1S/C9H8F2N4OS/c10-8(11)5-17-9-12-13-14-15(9)6-1-3-7(16)4-2-6/h1-4,8,16H,5H2
InChIKeyBCBHPPBAHHFWKA-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.73
Rot. Bonds4

About 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol

4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol (PubChem CID 54937608) has the molecular formula C9H8F2N4OS and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
PubChem CID54937608
Molecular FormulaC9H8F2N4OS
Molecular Weight258.25 g/mol
Exact Mass258.04
IUPAC Name4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCC(F)F)cc1
InChIInChI=1S/C9H8F2N4OS/c10-8(11)5-17-9-12-13-14-15(9)6-1-3-7(16)4-2-6/h1-4,8,16H,5H2
InChIKeyBCBHPPBAHHFWKA-UHFFFAOYSA-N
XLogP1.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
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3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylpropanehydrazide
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2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
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4-[5-(4-aminobut-2-enylsulfanyl)tetrazol-1-yl]phenol
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(1S,2S,3R)-1-[4-(hydroxymethyl)phenyl]-4-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylbutane-1,3-diol
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4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263
4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 115622324
4-[5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]tetrazol-1-yl]phenol
CID 60912121
4-[2-hydroxy-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropoxy]benzonitrile
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4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol
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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol (CID 54937608) is 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2SCC(F)F)cc1.
What is the InChIKey of 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol?
The InChIKey is BCBHPPBAHHFWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4OS/c10-8(11)5-17-9-12-13-14-15(9)6-1-3-7(16)4-2-6/h1-4,8,16H,5H2.
What are the key properties of 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol?
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol has a molecular weight of 258.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol is sourced from PubChem (CID 54937608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).