N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

C12H20F3NO3 — CID 111446186

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H20F3NO3/c1-9(19-8-12(13,14)15)10(17)16-7-11(18)5-3-2-4-6-11/h9,18H,2-8H2,1H3,(H,16,17)
InChIKeyMVCQYTMBOYLLPO-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.77
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 111446186) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID111446186
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H20F3NO3/c1-9(19-8-12(13,14)15)10(17)16-7-11(18)5-3-2-4-6-11/h9,18H,2-8H2,1H3,(H,16,17)
InChIKeyMVCQYTMBOYLLPO-UHFFFAOYSA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyloxy-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 95986959
N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]acetamide
CID 170759193
N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide
CID 171594071
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
N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65113464
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 65113661
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65119797
N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 86848270
(2S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 96482273
(2R)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 96482274

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 111446186) is N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is MVCQYTMBOYLLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-9(19-8-12(13,14)15)10(17)16-7-11(18)5-3-2-4-6-11/h9,18H,2-8H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 111446186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).