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

C18H22F3NO3 — CID 70191079

IUPAC2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cccc(C(F)(F)F)c1C1CCCCC1N1CCOCC1
InChIInChI=1S/C18H22F3NO3/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)
InChIKeyBVHCORWVHDMEIP-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.76
Rot. Bonds3

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

2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid (PubChem CID 70191079) has the molecular formula C18H22F3NO3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid
PubChem CID70191079
Molecular FormulaC18H22F3NO3
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC Name2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cccc(C(F)(F)F)c1C1CCCCC1N1CCOCC1
InChIInChI=1S/C18H22F3NO3/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)
InChIKeyBVHCORWVHDMEIP-UHFFFAOYSA-N
XLogP3.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.76
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?
The IUPAC name of 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid (CID 70191079) is 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid is O=C(O)c1cccc(C(F)(F)F)c1C1CCCCC1N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid?
The InChIKey is BVHCORWVHDMEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO3/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).
What are the key properties of 2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid?
2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid has a molecular weight of 357.37 g/mol, XLogP of 3.76, 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 is sourced from PubChem (CID 70191079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).