N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H21F3N2O2 — CID 112699710

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(CO)CCCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-16-6-10(19)17-7-11(9-18)4-2-1-3-5-11/h16,18H,1-9H2,(H,17,19)
InChIKeyCJCUPNKDSNFGRK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.20
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 112699710) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID112699710
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(CO)CCCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-16-6-10(19)17-7-11(9-18)4-2-1-3-5-11/h16,18H,1-9H2,(H,17,19)
InChIKeyCJCUPNKDSNFGRK-UHFFFAOYSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 115454888
1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312278
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924304
N-[(1-cyclopropylcyclopropyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103839402
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103801700
2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 103966753
2-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570312
N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 115878374
2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112703981
2-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570230
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 112699710) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is CJCUPNKDSNFGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)8-16-6-10(19)17-7-11(9-18)4-2-1-3-5-11/h16,18H,1-9H2,(H,17,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 112699710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).