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

C11H18F3NO3 — CID 79257688

IUPAC2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC1CCCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-18-9-4-2-3-8(5-9)15(6-10(16)17)7-11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyPFZLBQKXFHGKIE-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.89
Rot. Bonds5

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

2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257688) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257688
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC1CCCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-18-9-4-2-3-8(5-9)15(6-10(16)17)7-11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyPFZLBQKXFHGKIE-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257688) is 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid is COC1CCCC(N(CC(=O)O)CC(F)(F)F)C1.
What is the InChIKey of 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PFZLBQKXFHGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-18-9-4-2-3-8(5-9)15(6-10(16)17)7-11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).