cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium

C11H21F3NO2+ — CID 7084600

IUPACcyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
SMILESOCC[NH+](C[C@@H](O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)10(17)8-15(6-7-16)9-4-2-1-3-5-9/h9-10,16-17H,1-8H2/p+1/t10-/m1/s1
InChIKeyFTDPRWLODNNXTF-SNVBAGLBSA-O
MW256.29 g/mol
LogP0.12
Rot. Bonds5

About cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium

cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium (PubChem CID 7084600) has the molecular formula C11H21F3NO2+ and a molecular weight of 256.29 g/mol. Its IUPAC name is cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium.

Molecular Properties

Compound Namecyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
PubChem CID7084600
Molecular FormulaC11H21F3NO2+
Molecular Weight256.29 g/mol
Exact Mass256.15
IUPAC Namecyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
SMILESOCC[NH+](C[C@@H](O)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)10(17)8-15(6-7-16)9-4-2-1-3-5-9/h9-10,16-17H,1-8H2/p+1/t10-/m1/s1
InChIKeyFTDPRWLODNNXTF-SNVBAGLBSA-O
XLogP0.12
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The IUPAC name of cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium (CID 7084600) is cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium.
What is the SMILES notation for cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The canonical SMILES for cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium is OCC[NH+](C[C@@H](O)C(F)(F)F)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
The InChIKey is FTDPRWLODNNXTF-SNVBAGLBSA-O. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)10(17)8-15(6-7-16)9-4-2-1-3-5-9/h9-10,16-17H,1-8H2/p+1/t10-/m1/s1.
What are the key properties of cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium?
cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium has a molecular weight of 256.29 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-hydroxyethyl)-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium is sourced from PubChem (CID 7084600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).