4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine

C17H22F3NO — CID 141014652

IUPAC4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine
SMILESFC(F)(F)c1ccccc1[C@H]1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C17H22F3NO/c18-17(19,20)15-7-3-1-5-13(15)14-6-2-4-8-16(14)21-9-11-22-12-10-21/h1,3,5,7,14,16H,2,4,6,8-12H2/t14-,16+/m1/s1
InChIKeyMFLWIAGWAXOGNG-ZBFHGGJFSA-N
MW313.36 g/mol
LogP4.06
Rot. Bonds2

About 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine

4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine (PubChem CID 141014652) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine
PubChem CID141014652
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine
SMILESFC(F)(F)c1ccccc1[C@H]1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C17H22F3NO/c18-17(19,20)15-7-3-1-5-13(15)14-6-2-4-8-16(14)21-9-11-22-12-10-21/h1,3,5,7,14,16H,2,4,6,8-12H2/t14-,16+/m1/s1
InChIKeyMFLWIAGWAXOGNG-ZBFHGGJFSA-N
XLogP4.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid
CID 70191079
2-(2-morpholin-4-ylcyclohexyl)-3-(trifluoromethyl)benzoic acid;hydrochloride
CID 70192377
trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
trans-(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 94603915
4-hydroxy-N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]oxane-4-carboxamide
CID 102554068
1,2-bis(trifluoromethyl)benzene;oxolane
CID 158991746
(3S)-3-morpholin-4-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 95990939
N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81032598
4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
CID 171691368
4-[(1S,2R)-2-phenoxycyclohexyl]morpholine
CID 92857072
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine?
The IUPAC name of 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine (CID 141014652) is 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine?
The canonical SMILES for 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine is FC(F)(F)c1ccccc1[C@H]1CCCC[C@@H]1N1CCOCC1.
What is the InChIKey of 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine?
The InChIKey is MFLWIAGWAXOGNG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H22F3NO/c18-17(19,20)15-7-3-1-5-13(15)14-6-2-4-8-16(14)21-9-11-22-12-10-21/h1,3,5,7,14,16H,2,4,6,8-12H2/t14-,16+/m1/s1.
What are the key properties of 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine?
4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine has a molecular weight of 313.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine is sourced from PubChem (CID 141014652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).