N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide

C9H15ClF3NO3 — CID 103212348

IUPACN-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCC(Cl)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO3/c1-16-5-7(10)4-14-8(15)2-3-17-6-9(11,12)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyNKVUTDMKLAXKDG-UHFFFAOYSA-N
MW277.67 g/mol
LogP1.33
Rot. Bonds8

About N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212348) has the molecular formula C9H15ClF3NO3 and a molecular weight of 277.67 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212348
Molecular FormulaC9H15ClF3NO3
Molecular Weight277.67 g/mol
Exact Mass277.07
IUPAC NameN-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCC(Cl)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO3/c1-16-5-7(10)4-14-8(15)2-3-17-6-9(11,12)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyNKVUTDMKLAXKDG-UHFFFAOYSA-N
XLogP1.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212348) is N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide is COCC(Cl)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is NKVUTDMKLAXKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO3/c1-16-5-7(10)4-14-8(15)2-3-17-6-9(11,12)13/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 277.67 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).