2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid

C10H18F3NO2 — CID 62272694

IUPAC2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)CC(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-4-5-14(7-10(11,12)13)6-9(2,3)8(15)16/h4-7H2,1-3H3,(H,15,16)
InChIKeyHBXGNTPZLHJORD-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.37
Rot. Bonds6

About 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid

2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 62272694) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID62272694
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)CC(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-4-5-14(7-10(11,12)13)6-9(2,3)8(15)16/h4-7H2,1-3H3,(H,15,16)
InChIKeyHBXGNTPZLHJORD-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
CID 106713942
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272876
3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
CID 22902542
2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62278315
2-ethyl-4-[propyl(2,2,2-trifluoroethyl)amino]but-2-enoic acid
CID 77101660
2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide
CID 65259742
methyl 2,2-dimethyl-3-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate
CID 112752243
3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
CID 82951535
2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255881
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
CID 62271774
4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid
CID 65248284
3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626181

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 62272694) is 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is CCCN(CC(F)(F)F)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is HBXGNTPZLHJORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-5-14(7-10(11,12)13)6-9(2,3)8(15)16/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 62272694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).