2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride

C18H23ClF3NO3 — CID 70192377

IUPAC2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(C(F)(F)F)c1C1CCCCC1N1CCOCC1
InChIInChI=1S/C18H22F3NO3.ClH/c19-18(20,21)14-6-3-5-13(17(23)24)16(14)12-4-1-2-7-15(12)22-8-10-25-11-9-22;/h3,5-6,12,15H,1-2,4,7-11H2,(H,23,24);1H
InChIKeyNILXZLCYZWTDJY-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.18
Rot. Bonds3

About 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride

2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride (PubChem CID 70192377) has the molecular formula C18H23ClF3NO3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride
PubChem CID70192377
Molecular FormulaC18H23ClF3NO3
Molecular Weight393.83 g/mol
Exact Mass393.13
IUPAC Name2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(C(F)(F)F)c1C1CCCCC1N1CCOCC1
InChIInChI=1S/C18H22F3NO3.ClH/c19-18(20,21)14-6-3-5-13(17(23)24)16(14)12-4-1-2-7-15(12)22-8-10-25-11-9-22;/h3,5-6,12,15H,1-2,4,7-11H2,(H,23,24);1H
InChIKeyNILXZLCYZWTDJY-UHFFFAOYSA-N
XLogP4.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride?
The IUPAC name of 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride (CID 70192377) is 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride.
What is the SMILES notation for 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride?
The canonical SMILES for 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride is Cl.O=C(O)c1cccc(C(F)(F)F)c1C1CCCCC1N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride?
The InChIKey is NILXZLCYZWTDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO3.ClH/c19-18(20,21)14-6-3-5-13(17(23)24)16(14)12-4-1-2-7-15(12)22-8-10-25-11-9-22;/h3,5-6,12,15H,1-2,4,7-11H2,(H,23,24);1H.
What are the key properties of 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride?
2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride has a molecular weight of 393.83 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride is sourced from PubChem (CID 70192377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).