2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid

C9H14F3NO2 — CID 64757970

IUPAC2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESO=C(O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-2-1-3-7(4-6)13-5-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyQZPIXRPWGAPHBR-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.78
Rot. Bonds3

About 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid

2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid (PubChem CID 64757970) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
PubChem CID64757970
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
SMILESO=C(O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)6-2-1-3-7(4-6)13-5-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyQZPIXRPWGAPHBR-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid (CID 64757970) is 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid is O=C(O)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid?
The InChIKey is QZPIXRPWGAPHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)6-2-1-3-7(4-6)13-5-8(14)15/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid?
2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid has a molecular weight of 225.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetic acid is sourced from PubChem (CID 64757970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).