1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid

C12H18F3NO3 — CID 64758452

IUPAC1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)9-2-1-3-11(8-9,10(17)18)16-4-6-19-7-5-16/h9H,1-8H2,(H,17,18)
InChIKeyGHMDHGCMXQSDFE-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.89
Rot. Bonds2

About 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid

1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 64758452) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID64758452
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)9-2-1-3-11(8-9,10(17)18)16-4-6-19-7-5-16/h9H,1-8H2,(H,17,18)
InChIKeyGHMDHGCMXQSDFE-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 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 64758452) is 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(N2CCOCC2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is GHMDHGCMXQSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c13-12(14,15)9-2-1-3-11(8-9,10(17)18)16-4-6-19-7-5-16/h9H,1-8H2,(H,17,18).
What are the key properties of 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid?
1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-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 1-morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64758452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).