N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C10H18F3NO3 — CID 79290667

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CC(C)(C)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,16)6-14(3)8(15)4-5-17-7-10(11,12)13/h16H,4-7H2,1-3H3
InChIKeyCBSACUMKOBCQOL-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.18
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 79290667) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID79290667
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CC(C)(C)O)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,16)6-14(3)8(15)4-5-17-7-10(11,12)13/h16H,4-7H2,1-3H3
InChIKeyCBSACUMKOBCQOL-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 79290667) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CN(CC(C)(C)O)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CBSACUMKOBCQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-9(2,16)6-14(3)8(15)4-5-17-7-10(11,12)13/h16H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 79290667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).