N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide

C11H20F3NO3 — CID 87163819

IUPACN-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide
SMILESCN(CCO)C(=O)CCCCCCOC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-15(7-8-16)10(17)6-4-2-3-5-9-18-11(12,13)14/h16H,2-9H2,1H3
InChIKeyHMJZTCYIMPGNAT-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.92
Rot. Bonds9

About N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide

N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide (PubChem CID 87163819) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide
PubChem CID87163819
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide
SMILESCN(CCO)C(=O)CCCCCCOC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-15(7-8-16)10(17)6-4-2-3-5-9-18-11(12,13)14/h16H,2-9H2,1H3
InChIKeyHMJZTCYIMPGNAT-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.92
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-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide (CID 87163819) is N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide is CN(CCO)C(=O)CCCCCCOC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide?
The InChIKey is HMJZTCYIMPGNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-15(7-8-16)10(17)6-4-2-3-5-9-18-11(12,13)14/h16H,2-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide?
N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide has a molecular weight of 271.28 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-7-(trifluoromethoxy)heptanamide is sourced from PubChem (CID 87163819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).