2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol

C10H16F3NO — CID 61044928

IUPAC2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)C1CC=CCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-14-9(6-15)8-4-2-1-3-5-8/h1-2,8-9,14-15H,3-7H2
InChIKeyVCZWKUVIGIYYRK-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.86
Rot. Bonds4

About 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol

2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 61044928) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID61044928
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)C1CC=CCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)7-14-9(6-15)8-4-2-1-3-5-8/h1-2,8-9,14-15H,3-7H2
InChIKeyVCZWKUVIGIYYRK-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol (CID 61044928) is 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol is OCC(NCC(F)(F)F)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is VCZWKUVIGIYYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)7-14-9(6-15)8-4-2-1-3-5-8/h1-2,8-9,14-15H,3-7H2.
What are the key properties of 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol?
2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 223.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 61044928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).