3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol

C10H15F3N4OS — CID 86792540

IUPAC3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
SMILESOC(CSc1nnnn1C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N4OS/c11-10(12,13)8(18)6-19-9-14-15-16-17(9)7-4-2-1-3-5-7/h7-8,18H,1-6H2
InChIKeyLVARRARIPJLJSS-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.19
Rot. Bonds4

About 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol

3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol (PubChem CID 86792540) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
PubChem CID86792540
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
SMILESOC(CSc1nnnn1C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N4OS/c11-10(12,13)8(18)6-19-9-14-15-16-17(9)7-4-2-1-3-5-7/h7-8,18H,1-6H2
InChIKeyLVARRARIPJLJSS-UHFFFAOYSA-N
XLogP2.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol (CID 86792540) is 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol is OC(CSc1nnnn1C1CCCCC1)C(F)(F)F.
What is the InChIKey of 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is LVARRARIPJLJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c11-10(12,13)8(18)6-19-9-14-15-16-17(9)7-4-2-1-3-5-7/h7-8,18H,1-6H2.
What are the key properties of 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol has a molecular weight of 296.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 86792540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).