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

C10H15F3N4OS — CID 99704464

IUPAC(2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](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/t8-/m0/s1
InChIKeyLVARRARIPJLJSS-QMMMGPOBSA-N
MW296.32 g/mol
LogP2.19
Rot. Bonds4

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

(2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol (PubChem CID 99704464) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
PubChem CID99704464
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name(2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](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/t8-/m0/s1
InChIKeyLVARRARIPJLJSS-QMMMGPOBSA-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 (2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol (CID 99704464) is (2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol is O[C@@H](CSc1nnnn1C1CCCCC1)C(F)(F)F.
What is the InChIKey of (2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is LVARRARIPJLJSS-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
(2R)-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 (2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 99704464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).