4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid

C11H18F3NO3 — CID 54962275

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-5-15-9-3-1-8(2-4-9)10(16)17/h8-9,15H,1-7H2,(H,16,17)
InChIKeyUNYAIDGXBWNNTB-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.80
Rot. Bonds6

About 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid

4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 54962275) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID54962275
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-5-15-9-3-1-8(2-4-9)10(16)17/h8-9,15H,1-7H2,(H,16,17)
InChIKeyUNYAIDGXBWNNTB-UHFFFAOYSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-(ethylamino)cyclohexane-1-carboxylate
CID 57617608
2-(6,6-Difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid
CID 117698038
4-[[2-[3-(Trifluoromethoxy)cyclobutyl]oxyacetyl]amino]cyclohexane-1-carboxylic acid
CID 166158843
Ethyl 4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylate
CID 4181663
4-(Trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 14788218
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 55146346
4-(3,3,3-Trifluoropropanoylamino)cyclohexane-1-carboxylic acid
CID 60809511
4-(2,2,2-Trifluoroethylamino)cyclohexane-1-carboxylic acid
CID 60809885
4-[3-(2,2,2-Trifluoroethoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 60810347
4-(2,2-Difluoroethylamino)cyclohexane-1-carboxylic acid
CID 60922417
4-(2,2,2-Trifluoroethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 61171961
4-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexane-1-carboxylic acid
CID 61491065

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid (CID 54962275) is 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UNYAIDGXBWNNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-5-15-9-3-1-8(2-4-9)10(16)17/h8-9,15H,1-7H2,(H,16,17).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid?
4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54962275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).