4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid

C19H22F3NO4 — CID 120674635

IUPAC4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C19H22F3NO4/c20-19(21,22)15-7-5-12(6-8-15)16-11-23(9-10-27-16)17(24)13-1-3-14(4-2-13)18(25)26/h5-8,13-14,16H,1-4,9-11H2,(H,25,26)
InChIKeyZHPZUMOAYMYIEI-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.50
Rot. Bonds3

About 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid

4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120674635) has the molecular formula C19H22F3NO4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120674635
Molecular FormulaC19H22F3NO4
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Name4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C19H22F3NO4/c20-19(21,22)15-7-5-12(6-8-15)16-11-23(9-10-27-16)17(24)13-1-3-14(4-2-13)18(25)26/h5-8,13-14,16H,1-4,9-11H2,(H,25,26)
InChIKeyZHPZUMOAYMYIEI-UHFFFAOYSA-N
XLogP3.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid (CID 120674635) is 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZHPZUMOAYMYIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO4/c20-19(21,22)15-7-5-12(6-8-15)16-11-23(9-10-27-16)17(24)13-1-3-14(4-2-13)18(25)26/h5-8,13-14,16H,1-4,9-11H2,(H,25,26).
What are the key properties of 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 385.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).