(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide

C11H13F3N2O2 — CID 119291435

IUPAC(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-7(15)10(17)16-8-3-2-4-9(5-8)18-6-11(12,13)14/h2-5,7H,6,15H2,1H3,(H,16,17)/t7-/m0/s1
InChIKeySISXFIHMUXQBSD-ZETCQYMHSA-N
MW262.23 g/mol
LogP1.91
Rot. Bonds4

About (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide

(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 119291435) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID119291435
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-7(15)10(17)16-8-3-2-4-9(5-8)18-6-11(12,13)14/h2-5,7H,6,15H2,1H3,(H,16,17)/t7-/m0/s1
InChIKeySISXFIHMUXQBSD-ZETCQYMHSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide
CID 168653348
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 119291435) is (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide is C[C@H](N)C(=O)Nc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is SISXFIHMUXQBSD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7(15)10(17)16-8-3-2-4-9(5-8)18-6-11(12,13)14/h2-5,7H,6,15H2,1H3,(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 262.23 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 119291435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).