2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid

C14H18F3NO3 — CID 116694252

IUPAC2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
SMILESCCNC(CCOCC(F)(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18F3NO3/c1-2-18-13(12(19)20,11-6-4-3-5-7-11)8-9-21-10-14(15,16)17/h3-7,18H,2,8-10H2,1H3,(H,19,20)
InChIKeyWMPMIHYWPTZVTQ-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.55
Rot. Bonds8

About 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid

2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid (PubChem CID 116694252) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
PubChem CID116694252
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
SMILESCCNC(CCOCC(F)(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18F3NO3/c1-2-18-13(12(19)20,11-6-4-3-5-7-11)8-9-21-10-14(15,16)17/h3-7,18H,2,8-10H2,1H3,(H,19,20)
InChIKeyWMPMIHYWPTZVTQ-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694249
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
4-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)butanoic acid
CID 116694434
2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid
CID 116693828
3-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylpropanoic acid
CID 66224522
2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide
CID 82957265
2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 116696045
2-phenyl-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 60997859
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2-(ethylamino)-4-(2-methylpropylsulfanyl)-2-phenylbutanoic acid
CID 116694462
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid?
The IUPAC name of 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid (CID 116694252) is 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid?
The canonical SMILES for 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid is CCNC(CCOCC(F)(F)F)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid?
The InChIKey is WMPMIHYWPTZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-2-18-13(12(19)20,11-6-4-3-5-7-11)8-9-21-10-14(15,16)17/h3-7,18H,2,8-10H2,1H3,(H,19,20).
What are the key properties of 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid?
2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid has a molecular weight of 305.30 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid is sourced from PubChem (CID 116694252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).