2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide

C9H13ClF3NO — CID 2530241

IUPAC2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@H](C1CC1)N(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C9H13ClF3NO/c1-6(7-2-3-7)14(8(15)4-10)5-9(11,12)13/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyDZRYFGTYICDZET-ZCFIWIBFSA-N
MW243.66 g/mol
LogP2.41
Rot. Bonds4

About 2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide

2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2530241) has the molecular formula C9H13ClF3NO and a molecular weight of 243.66 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2530241
Molecular FormulaC9H13ClF3NO
Molecular Weight243.66 g/mol
Exact Mass243.06
IUPAC Name2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC[C@H](C1CC1)N(CC(F)(F)F)C(=O)CCl
InChIInChI=1S/C9H13ClF3NO/c1-6(7-2-3-7)14(8(15)4-10)5-9(11,12)13/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyDZRYFGTYICDZET-ZCFIWIBFSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.41
H-Bond Donors ≤ 50
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-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 2530241) is 2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide is C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DZRYFGTYICDZET-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13ClF3NO/c1-6(7-2-3-7)14(8(15)4-10)5-9(11,12)13/h6-7H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 243.66 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2530241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).