2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid

C10H18F3NO2 — CID 65264419

IUPAC2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid
SMILESCC(C)(NCCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-8(2,7(15)16)9(3,4)14-6-5-10(11,12)13/h14H,5-6H2,1-4H3,(H,15,16)
InChIKeyUJFNIBRZNOUKLG-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds5

About 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid

2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid (PubChem CID 65264419) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid
PubChem CID65264419
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid
SMILESCC(C)(NCCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-8(2,7(15)16)9(3,4)14-6-5-10(11,12)13/h14H,5-6H2,1-4H3,(H,15,16)
InChIKeyUJFNIBRZNOUKLG-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-Dimethylbutylamino)-4,4,4-trifluorobutanoic acid
CID 57632472
3-(2,2-Dimethylbutanoylamino)-4,4,4-trifluorobutanoic acid
CID 88907642
(3S)-3-(ethylamino)-4,4,4-trifluoro-3-methylbutanoic acid
CID 89871552
Ethane;4,4,4-trifluoro-3-(propylamino)butanoic acid
CID 143432700
2-(3,3-Dimethylbutylamino)-3-methyl-2-(trifluoromethyl)butanoic acid
CID 152731235
2,2,3-Trimethyl-3-(trifluoroacetamido)butanoic acid
CID 65261461
2,2,3-Trimethyl-3-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 65261708
2,2,3-Trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 65264173
2,2,3-Trimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanoic acid
CID 65265184
3-(2,2-Difluoroethylamino)-2,2,3-trimethylbutanoic acid
CID 65265307
2,2,3-Trimethyl-3-(2,2,2-trifluoroethylamino)butanoic acid
CID 65265606
2,2,3-Trimethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanoic acid
CID 65265688

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid (CID 65264419) is 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid is CC(C)(NCCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid?
The InChIKey is UJFNIBRZNOUKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(2,7(15)16)9(3,4)14-6-5-10(11,12)13/h14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid?
2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3,3,3-trifluoropropylamino)butanoic acid is sourced from PubChem (CID 65264419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).