3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

C13H22F3NO2 — CID 103857392

IUPAC3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCC1CCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-17(8-9-18)12(19)7-6-11-4-2-1-3-5-11/h11,18H,1-10H2
InChIKeyQKNBRKHEHJMGHP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.73
Rot. Bonds6

About 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103857392) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103857392
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCC1CCCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-17(8-9-18)12(19)7-6-11-4-2-1-3-5-11/h11,18H,1-10H2
InChIKeyQKNBRKHEHJMGHP-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78858621
3-cyclopentyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 113339851
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
3-piperidin-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55211669
N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103857530
N-(3-amino-2,2-dimethylpropyl)-3-cyclohexyl-N-propylpropanamide
CID 79667842
N-ethyl-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55048264
3-cyclopentyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 43603427
3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107487353
3-cyclopentyl-N,N-dipentylpropanamide
CID 4248024
N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 107483398
3-cyclopentyl-N,N-diheptylpropanamide
CID 532988

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103857392) is 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCC1CCCCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QKNBRKHEHJMGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)10-17(8-9-18)12(19)7-6-11-4-2-1-3-5-11/h11,18H,1-10H2.
What are the key properties of 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 281.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103857392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).