2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide

C11H18F3NO2 — CID 65119648

IUPAC2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
SMILESCC1(C)CCC(O)(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-9(2)3-5-10(17,6-4-9)7-15-8(16)11(12,13)14/h17H,3-7H2,1-2H3,(H,15,16)
InChIKeyCUGHPSMZOJSBFZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.00
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide

2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide (PubChem CID 65119648) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
PubChem CID65119648
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
SMILESCC1(C)CCC(O)(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-9(2)3-5-10(17,6-4-9)7-15-8(16)11(12,13)14/h17H,3-7H2,1-2H3,(H,15,16)
InChIKeyCUGHPSMZOJSBFZ-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide (CID 65119648) is 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide is CC1(C)CCC(O)(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide?
The InChIKey is CUGHPSMZOJSBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-9(2)3-5-10(17,6-4-9)7-15-8(16)11(12,13)14/h17H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide?
2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide has a molecular weight of 253.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 65119648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).