N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C8H13ClF3NO2 — CID 103212356

IUPACN-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CCl)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H13ClF3NO2/c1-6(4-9)13-7(14)2-3-15-5-8(10,11)12/h6H,2-5H2,1H3,(H,13,14)
InChIKeyIYWVZWGWJJOBRX-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.70
Rot. Bonds6

About N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212356) has the molecular formula C8H13ClF3NO2 and a molecular weight of 247.64 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212356
Molecular FormulaC8H13ClF3NO2
Molecular Weight247.64 g/mol
Exact Mass247.06
IUPAC NameN-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CCl)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H13ClF3NO2/c1-6(4-9)13-7(14)2-3-15-5-8(10,11)12/h6H,2-5H2,1H3,(H,13,14)
InChIKeyIYWVZWGWJJOBRX-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212356) is N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(CCl)NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IYWVZWGWJJOBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO2/c1-6(4-9)13-7(14)2-3-15-5-8(10,11)12/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 247.64 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-(1-chloropropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).