N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H13ClF3NO2 — CID 103212420

IUPACN-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC(Cl)C1CC1
InChIInChI=1S/C9H13ClF3NO2/c10-7(6-1-2-6)3-14-8(15)4-16-5-9(11,12)13/h6-7H,1-5H2,(H,14,15)
InChIKeyCDVKSWPZEPEMJX-UHFFFAOYSA-N
MW259.65 g/mol
LogP1.70
Rot. Bonds6

About N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212420) has the molecular formula C9H13ClF3NO2 and a molecular weight of 259.65 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212420
Molecular FormulaC9H13ClF3NO2
Molecular Weight259.65 g/mol
Exact Mass259.06
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC(Cl)C1CC1
InChIInChI=1S/C9H13ClF3NO2/c10-7(6-1-2-6)3-14-8(15)4-16-5-9(11,12)13/h6-7H,1-5H2,(H,14,15)
InChIKeyCDVKSWPZEPEMJX-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212420) is N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC(Cl)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is CDVKSWPZEPEMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF3NO2/c10-7(6-1-2-6)3-14-8(15)4-16-5-9(11,12)13/h6-7H,1-5H2,(H,14,15).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 259.65 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).