N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C11H18F3NO3 — CID 103690914

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CCCC(O)C1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-10(17)15-5-8-2-1-3-9(16)4-8/h8-9,16H,1-7H2,(H,15,17)
InChIKeyICRSEROBTUEVHJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.23
Rot. Bonds5

About N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103690914) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103690914
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CCCC(O)C1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-10(17)15-5-8-2-1-3-9(16)4-8/h8-9,16H,1-7H2,(H,15,17)
InChIKeyICRSEROBTUEVHJ-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103690914) is N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ICRSEROBTUEVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-10(17)15-5-8-2-1-3-9(16)4-8/h8-9,16H,1-7H2,(H,15,17).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103690914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).