4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid

C12H18F3NO3 — CID 65067477

IUPAC4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C2CCC(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)8-1-3-9(4-2-8)16-5-6-19-10(7-16)11(17)18/h8-10H,1-7H2,(H,17,18)
InChIKeyWYEDNZUCKNPSHN-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.89
Rot. Bonds2

About 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid

4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid (PubChem CID 65067477) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid
PubChem CID65067477
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C2CCC(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)8-1-3-9(4-2-8)16-5-6-19-10(7-16)11(17)18/h8-10H,1-7H2,(H,17,18)
InChIKeyWYEDNZUCKNPSHN-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid (CID 65067477) is 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C2CCC(C(F)(F)F)CC2)CCO1.
What is the InChIKey of 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid?
The InChIKey is WYEDNZUCKNPSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c13-12(14,15)8-1-3-9(4-2-8)16-5-6-19-10(7-16)11(17)18/h8-10H,1-7H2,(H,17,18).
What are the key properties of 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid?
4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)cyclohexyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 65067477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).