(2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide

C7H11ClF3NO — CID 118857556

IUPAC(2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC[C@@H](Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11ClF3NO/c1-2-3-5(8)6(13)12-4-7(9,10)11/h5H,2-4H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyMRBVHRBJOVMVJM-RXMQYKEDSA-N
MW217.62 g/mol
LogP2.07
Rot. Bonds4

About (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide

(2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 118857556) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID118857556
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name(2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCC[C@@H](Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11ClF3NO/c1-2-3-5(8)6(13)12-4-7(9,10)11/h5H,2-4H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyMRBVHRBJOVMVJM-RXMQYKEDSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide (CID 118857556) is (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide is CCC[C@@H](Cl)C(=O)NCC(F)(F)F.
What is the InChIKey of (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is MRBVHRBJOVMVJM-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11ClF3NO/c1-2-3-5(8)6(13)12-4-7(9,10)11/h5H,2-4H2,1H3,(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide?
(2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 217.62 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 118857556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).