2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol

C15H18F2N4OS — CID 110884656

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol
SMILESOC(CSc1nnnn1C1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N4OS/c16-12-7-6-10(8-13(12)17)14(22)9-23-15-18-19-20-21(15)11-4-2-1-3-5-11/h6-8,11,14,22H,1-5,9H2
InChIKeyWXJSPAQUTCIDBL-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.28
Rot. Bonds5

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol (PubChem CID 110884656) has the molecular formula C15H18F2N4OS and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol
PubChem CID110884656
Molecular FormulaC15H18F2N4OS
Molecular Weight340.40 g/mol
Exact Mass340.12
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol
SMILESOC(CSc1nnnn1C1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N4OS/c16-12-7-6-10(8-13(12)17)14(22)9-23-15-18-19-20-21(15)11-4-2-1-3-5-11/h6-8,11,14,22H,1-5,9H2
InChIKeyWXJSPAQUTCIDBL-UHFFFAOYSA-N
XLogP3.28
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol (CID 110884656) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol is OC(CSc1nnnn1C1CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol?
The InChIKey is WXJSPAQUTCIDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4OS/c16-12-7-6-10(8-13(12)17)14(22)9-23-15-18-19-20-21(15)11-4-2-1-3-5-11/h6-8,11,14,22H,1-5,9H2.
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol has a molecular weight of 340.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 110884656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).