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

C13H22F3NO3 — CID 103209085

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1(C)CCC(O)(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO3/c1-11(2)3-5-12(19,6-4-11)8-17-10(18)7-20-9-13(14,15)16/h19H,3-9H2,1-2H3,(H,17,18)
InChIKeyXOAHJLGNZFRJOA-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.01
Rot. Bonds5

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

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209085) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209085
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1(C)CCC(O)(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO3/c1-11(2)3-5-12(19,6-4-11)8-17-10(18)7-20-9-13(14,15)16/h19H,3-9H2,1-2H3,(H,17,18)
InChIKeyXOAHJLGNZFRJOA-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

N-[(2,2-difluoro-6-hydroxyspiro[2.5]octan-6-yl)methyl]acetamide
CID 70282044
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 60298705
2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65050555
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65051054
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052464
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052552
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052679
2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052907
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65119268
3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
CID 65119605
2,2,2-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119648
4,4-Dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 65120559

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209085) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CC1(C)CCC(O)(CNC(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is XOAHJLGNZFRJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c1-11(2)3-5-12(19,6-4-11)8-17-10(18)7-20-9-13(14,15)16/h19H,3-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 297.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).