2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol

C12H22F3NO — CID 84737872

IUPAC2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol
SMILESCNCCCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-16-8-2-3-9-4-6-10(7-5-9)11(17)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyAFWLIFTYSUZDDR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds5

About 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol

2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol (PubChem CID 84737872) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol
PubChem CID84737872
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol
SMILESCNCCCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-16-8-2-3-9-4-6-10(7-5-9)11(17)12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyAFWLIFTYSUZDDR-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol (CID 84737872) is 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol is CNCCCC1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol?
The InChIKey is AFWLIFTYSUZDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-16-8-2-3-9-4-6-10(7-5-9)11(17)12(13,14)15/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol?
2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol has a molecular weight of 253.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol is sourced from PubChem (CID 84737872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).