2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid

C10H18F3NO2 — CID 79265969

IUPAC2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(C)C(C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-7(2)8(3)14(5-9(15)16)6-10(11,12)13/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyJJHGMQTYWYUNKD-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.37
Rot. Bonds6

About 2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid

2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265969) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265969
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(C)C(C)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-7(2)8(3)14(5-9(15)16)6-10(11,12)13/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyJJHGMQTYWYUNKD-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265969) is 2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid is CCC(C)C(C)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is JJHGMQTYWYUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-7(2)8(3)14(5-9(15)16)6-10(11,12)13/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic 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-[3-methylpentan-2-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).