N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H15ClF3NO3 — CID 103212677

IUPACN-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOCCN(CCCl)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO3/c1-16-5-4-14(3-2-10)8(15)6-17-7-9(11,12)13/h2-7H2,1H3
InChIKeyBABIXYHMJQUEQI-UHFFFAOYSA-N
MW277.67 g/mol
LogP1.28
Rot. Bonds8

About N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212677) has the molecular formula C9H15ClF3NO3 and a molecular weight of 277.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212677
Molecular FormulaC9H15ClF3NO3
Molecular Weight277.67 g/mol
Exact Mass277.07
IUPAC NameN-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOCCN(CCCl)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO3/c1-16-5-4-14(3-2-10)8(15)6-17-7-9(11,12)13/h2-7H2,1H3
InChIKeyBABIXYHMJQUEQI-UHFFFAOYSA-N
XLogP1.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103857573
N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212161
2-ethoxy-N,N-bis(2-methoxyethyl)acetamide
CID 60636441
N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212140
N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide
CID 63391075
2-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909425
methyl 2-(2,2,2-trifluoroethoxy)acetate
CID 19381016
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957904
3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
CID 61040705
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212677) is N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide is COCCN(CCCl)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is BABIXYHMJQUEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO3/c1-16-5-4-14(3-2-10)8(15)6-17-7-9(11,12)13/h2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 277.67 g/mol, XLogP of 1.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).