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

C14H16F2N4OS — CID 110884908

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol
SMILESOC(CSc1nnnn1C1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N4OS/c15-11-6-5-9(7-12(11)16)13(21)8-22-14-17-18-19-20(14)10-3-1-2-4-10/h5-7,10,13,21H,1-4,8H2
InChIKeyDEYUMYJMHGDNFO-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.89
Rot. Bonds5

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

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol (PubChem CID 110884908) has the molecular formula C14H16F2N4OS and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol
PubChem CID110884908
Molecular FormulaC14H16F2N4OS
Molecular Weight326.37 g/mol
Exact Mass326.10
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol
SMILESOC(CSc1nnnn1C1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N4OS/c15-11-6-5-9(7-12(11)16)13(21)8-22-14-17-18-19-20(14)10-3-1-2-4-10/h5-7,10,13,21H,1-4,8H2
InChIKeyDEYUMYJMHGDNFO-UHFFFAOYSA-N
XLogP2.89
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol (CID 110884908) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol is OC(CSc1nnnn1C1CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol?
The InChIKey is DEYUMYJMHGDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4OS/c15-11-6-5-9(7-12(11)16)13(21)8-22-14-17-18-19-20(14)10-3-1-2-4-10/h5-7,10,13,21H,1-4,8H2.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol has a molecular weight of 326.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 110884908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).