N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide

C7H13F3N2O2 — CID 89421101

IUPACN-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
SMILESC[C@@H](N)CN(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(11)4-12(2-3-13)6(14)7(8,9)10/h5,13H,2-4,11H2,1H3/t5-/m1/s1
InChIKeyKRAMFQQHOBONGG-RXMQYKEDSA-N
MW214.19 g/mol
LogP-0.28
Rot. Bonds4

About N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide

N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide (PubChem CID 89421101) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
PubChem CID89421101
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
SMILESC[C@@H](N)CN(CCO)C(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(11)4-12(2-3-13)6(14)7(8,9)10/h5,13H,2-4,11H2,1H3/t5-/m1/s1
InChIKeyKRAMFQQHOBONGG-RXMQYKEDSA-N
XLogP-0.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide (CID 89421101) is N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide is C[C@@H](N)CN(CCO)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The InChIKey is KRAMFQQHOBONGG-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-5(11)4-12(2-3-13)6(14)7(8,9)10/h5,13H,2-4,11H2,1H3/t5-/m1/s1.
What are the key properties of N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide has a molecular weight of 214.19 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 89421101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).