3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid

C11H16F3NO4 — CID 103932793

IUPAC3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COCC(F)(F)F)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)6-19-5-9(16)15-8-3-1-2-7(4-8)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)
InChIKeySNFONSCYEQVSRG-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.32
Rot. Bonds5

About 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 103932793) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID103932793
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COCC(F)(F)F)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)6-19-5-9(16)15-8-3-1-2-7(4-8)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)
InChIKeySNFONSCYEQVSRG-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732
N-[2-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807208
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103790663
2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 61329813
3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide
CID 136527089
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 104927390
2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 63681193
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481913
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid (CID 103932793) is 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(COCC(F)(F)F)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is SNFONSCYEQVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)6-19-5-9(16)15-8-3-1-2-7(4-8)10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103932793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).