2-chloro-N-(2,2,2-trifluoroethyl)propanamide

C5H7ClF3NO — CID 3799469

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C5H7ClF3NO/c1-3(6)4(11)10-2-5(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyPKRNHFORYFCZOX-UHFFFAOYSA-N
MW189.56 g/mol
LogP1.29
Rot. Bonds2

About 2-chloro-N-(2,2,2-trifluoroethyl)propanamide

2-chloro-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 3799469) has the molecular formula C5H7ClF3NO and a molecular weight of 189.56 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID3799469
Molecular FormulaC5H7ClF3NO
Molecular Weight189.56 g/mol
Exact Mass189.02
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C5H7ClF3NO/c1-3(6)4(11)10-2-5(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyPKRNHFORYFCZOX-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.56
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)propanamide (CID 3799469) is 2-chloro-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)propanamide is CC(Cl)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PKRNHFORYFCZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF3NO/c1-3(6)4(11)10-2-5(7,8)9/h3H,2H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)propanamide?
2-chloro-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 189.56 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 3799469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).