N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide

C8H13ClF3NO2 — CID 103208689

IUPACN-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCCCl
InChIInChI=1S/C8H13ClF3NO2/c9-3-1-4-13-7(14)2-5-15-6-8(10,11)12/h1-6H2,(H,13,14)
InChIKeyMWJOSBAJBSQCNB-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.70
Rot. Bonds7

About N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103208689) has the molecular formula C8H13ClF3NO2 and a molecular weight of 247.64 g/mol. Its IUPAC name is N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103208689
Molecular FormulaC8H13ClF3NO2
Molecular Weight247.64 g/mol
Exact Mass247.06
IUPAC NameN-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCCCl
InChIInChI=1S/C8H13ClF3NO2/c9-3-1-4-13-7(14)2-5-15-6-8(10,11)12/h1-6H2,(H,13,14)
InChIKeyMWJOSBAJBSQCNB-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103208689) is N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is MWJOSBAJBSQCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO2/c9-3-1-4-13-7(14)2-5-15-6-8(10,11)12/h1-6H2,(H,13,14).
What are the key properties of N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 247.64 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103208689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).