2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C10H18F3NO2 — CID 82929087

IUPAC2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCC(CC)CNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-7(5-2)6-14-9(3,8(15)16)10(11,12)13/h7,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyXFITVRGWYSGDCJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds6

About 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 82929087) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID82929087
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCC(CC)CNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-7(5-2)6-14-9(3,8(15)16)10(11,12)13/h7,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyXFITVRGWYSGDCJ-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 82929087) is 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CCC(CC)CNC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is XFITVRGWYSGDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-7(5-2)6-14-9(3,8(15)16)10(11,12)13/h7,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 82929087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).