2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O2 — CID 106132061

IUPAC2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1CCCC(O)C1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8(11(19)17-7-12(13,14)15)16-6-9-3-2-4-10(18)5-9/h8-10,16,18H,2-7H2,1H3,(H,17,19)
InChIKeyXHEGALYVOAFFQF-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.19
Rot. Bonds5

About 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106132061) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106132061
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1CCCC(O)C1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8(11(19)17-7-12(13,14)15)16-6-9-3-2-4-10(18)5-9/h8-10,16,18H,2-7H2,1H3,(H,17,19)
InChIKeyXHEGALYVOAFFQF-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64912624
N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958437
N-[(2-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79002516
2-amino-3,3,3-trifluoro-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 79789950
2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide
CID 79811147
2-amino-3,3,3-trifluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 79812250
1-[3-(2-Hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
CID 83992322
1-[3-(2,2-Difluoroethylamino)-5-(2-hydroxybutyl)piperidin-1-yl]propan-1-one
CID 83993016
N-(4-hydroxycyclohexyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 86817721
2,2,2-trifluoro-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 103690636
N-[2-(hydroxymethyl)cyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103860255
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 104696254

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106132061) is 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1CCCC(O)C1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XHEGALYVOAFFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(11(19)17-7-12(13,14)15)16-6-9-3-2-4-10(18)5-9/h8-10,16,18H,2-7H2,1H3,(H,17,19).
What are the key properties of 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106132061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).