(2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol

C11H20F3NOS — CID 99858466

IUPAC(2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESCCS[C@@H]1CCCC[C@H]1NC[C@@H](O)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-2-17-9-6-4-3-5-8(9)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyBOSTUVDLPYWVAS-OPRDCNLKSA-N
MW271.35 g/mol
LogP2.56
Rot. Bonds5

About (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol

(2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 99858466) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID99858466
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name(2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESCCS[C@@H]1CCCC[C@H]1NC[C@@H](O)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-2-17-9-6-4-3-5-8(9)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyBOSTUVDLPYWVAS-OPRDCNLKSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol (CID 99858466) is (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol is CCS[C@@H]1CCCC[C@H]1NC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is BOSTUVDLPYWVAS-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-2-17-9-6-4-3-5-8(9)15-7-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3/t8-,9-,10-/m1/s1.
What are the key properties of (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol?
(2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 271.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(1R,2R)-2-ethylsulfanylcyclohexyl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 99858466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).