2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C12H21F3N2O2 — CID 55087126

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCC(CO)(NCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-9-2-4-11(8-18,5-3-9)17-6-10(19)16-7-12(13,14)15/h9,17-18H,2-8H2,1H3,(H,16,19)
InChIKeyFJOGOHQGJDJGPY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.20
Rot. Bonds5

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55087126) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55087126
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCC(CO)(NCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-9-2-4-11(8-18,5-3-9)17-6-10(19)16-7-12(13,14)15/h9,17-18H,2-8H2,1H3,(H,16,19)
InChIKeyFJOGOHQGJDJGPY-UHFFFAOYSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55082339
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylphenyl)acetamide
CID 62551845
1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 63900670
2-[(2,2,3,3-tetramethylcyclopropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79357973
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 115454888
2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 107424383
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492175
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanoic acid
CID 62552009
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]butanoic acid
CID 62553184
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 55087126) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCC(CO)(NCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FJOGOHQGJDJGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9-2-4-11(8-18,5-3-9)17-6-10(19)16-7-12(13,14)15/h9,17-18H,2-8H2,1H3,(H,16,19).
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55087126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).