N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C13H22F3NO3 — CID 103209090

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC1CCC(O)(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO3/c1-2-10-3-5-12(19,6-4-10)8-17-11(18)7-20-9-13(14,15)16/h10,19H,2-9H2,1H3,(H,17,18)
InChIKeyMQJJUSPUTBHORM-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.01
Rot. Bonds6

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209090) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209090
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC1CCC(O)(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO3/c1-2-10-3-5-12(19,6-4-10)8-17-11(18)7-20-9-13(14,15)16/h10,19H,2-9H2,1H3,(H,17,18)
InChIKeyMQJJUSPUTBHORM-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209090) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CCC1CCC(O)(CNC(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MQJJUSPUTBHORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c1-2-10-3-5-12(19,6-4-10)8-17-11(18)7-20-9-13(14,15)16/h10,19H,2-9H2,1H3,(H,17,18).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 297.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).