2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C6H9ClF3NO2 — CID 103881684

IUPAC2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(Cl)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H9ClF3NO2/c1-3(7)5(13)11-2-4(12)6(8,9)10/h3-4,12H,2H2,1H3,(H,11,13)
InChIKeyXAZKSXKTSHVDIS-UHFFFAOYSA-N
MW219.59 g/mol
LogP0.65
Rot. Bonds3

About 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103881684) has the molecular formula C6H9ClF3NO2 and a molecular weight of 219.59 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103881684
Molecular FormulaC6H9ClF3NO2
Molecular Weight219.59 g/mol
Exact Mass219.03
IUPAC Name2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(Cl)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H9ClF3NO2/c1-3(7)5(13)11-2-4(12)6(8,9)10/h3-4,12H,2H2,1H3,(H,11,13)
InChIKeyXAZKSXKTSHVDIS-UHFFFAOYSA-N
XLogP0.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.59
LogP ≤ 50.65
H-Bond Donors ≤ 52
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 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103881684) is 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CC(Cl)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is XAZKSXKTSHVDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF3NO2/c1-3(7)5(13)11-2-4(12)6(8,9)10/h3-4,12H,2H2,1H3,(H,11,13).
What are the key properties of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 219.59 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103881684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).