2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid

C10H18F3NO2 — CID 60998941

IUPAC2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid
SMILESCC(C)CCC(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-7(2)4-5-9(3,8(15)16)14-6-10(11,12)13/h7,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyYSTLUONIMKUUDQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds6

About 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid

2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid (PubChem CID 60998941) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid.

Molecular Properties

Compound Name2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid
PubChem CID60998941
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid
SMILESCC(C)CCC(C)(NCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-7(2)4-5-9(3,8(15)16)14-6-10(11,12)13/h7,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyYSTLUONIMKUUDQ-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 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid?
The IUPAC name of 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid (CID 60998941) is 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid.
What is the SMILES notation for 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid?
The canonical SMILES for 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid is CC(C)CCC(C)(NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid?
The InChIKey is YSTLUONIMKUUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(2)4-5-9(3,8(15)16)14-6-10(11,12)13/h7,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid?
2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic 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 2,5-dimethyl-2-(2,2,2-trifluoroethylamino)hexanoic acid is sourced from PubChem (CID 60998941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).