2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol

C12H20F3NO2 — CID 95625752

IUPAC2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
SMILESOCCN(CCOCC(F)(F)F)[C@H]1C=CCCC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)10-18-9-7-16(6-8-17)11-4-2-1-3-5-11/h2,4,11,17H,1,3,5-10H2/t11-/m0/s1
InChIKeyQSOCZGFROXUENQ-NSHDSACASA-N
MW267.29 g/mol
LogP1.97
Rot. Bonds7

About 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol

2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol (PubChem CID 95625752) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
PubChem CID95625752
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
SMILESOCCN(CCOCC(F)(F)F)[C@H]1C=CCCC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)10-18-9-7-16(6-8-17)11-4-2-1-3-5-11/h2,4,11,17H,1,3,5-10H2/t11-/m0/s1
InChIKeyQSOCZGFROXUENQ-NSHDSACASA-N
XLogP1.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol (CID 95625752) is 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol is OCCN(CCOCC(F)(F)F)[C@H]1C=CCCC1.
What is the InChIKey of 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol?
The InChIKey is QSOCZGFROXUENQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)10-18-9-7-16(6-8-17)11-4-2-1-3-5-11/h2,4,11,17H,1,3,5-10H2/t11-/m0/s1.
What are the key properties of 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol?
2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol has a molecular weight of 267.29 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 95625752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).