(3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine

C15H26F3NO — CID 170395408

IUPAC(3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
SMILESCC(C)C1(C)CCC(N2CCOC[C@@H]2C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-11(2)14(3)6-4-12(5-7-14)19-8-9-20-10-13(19)15(16,17)18/h11-13H,4-10H2,1-3H3/t12?,13-,14?/m1/s1
InChIKeyHMUBNRQSOUXBGS-ROKHWSDSSA-N
MW293.37 g/mol
LogP3.85
Rot. Bonds2

About (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine

(3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine (PubChem CID 170395408) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
PubChem CID170395408
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name(3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
SMILESCC(C)C1(C)CCC(N2CCOC[C@@H]2C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-11(2)14(3)6-4-12(5-7-14)19-8-9-20-10-13(19)15(16,17)18/h11-13H,4-10H2,1-3H3/t12?,13-,14?/m1/s1
InChIKeyHMUBNRQSOUXBGS-ROKHWSDSSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Tert-butylcyclohexyl)morpholine
CID 742685
4-(4-Tert-butylcyclohexyl)-2,6-dimethylmorpholine
CID 2846696
4-(4-Ethylcyclohexyl)morpholine
CID 756963
(2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine
CID 129258293
(2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine
CID 129268469
4-[(2R)-2-fluoro-5-(2-methylpropyl)cyclohexyl]morpholine
CID 143588789
4-(4,4-Dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane
CID 170587880
4-(4-Methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
CID 170589069
4-(3-Fluoro-4-methylcyclohexyl)morpholine
CID 172367641
4-(2,6-Dimethylcyclohexyl)-3-fluoromorpholine
CID 175952936
4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine
CID 176992500
4-(4-Propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
CID 177029774

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine?
The IUPAC name of (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine (CID 170395408) is (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine.
What is the SMILES notation for (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine?
The canonical SMILES for (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine is CC(C)C1(C)CCC(N2CCOC[C@@H]2C(F)(F)F)CC1.
What is the InChIKey of (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine?
The InChIKey is HMUBNRQSOUXBGS-ROKHWSDSSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-11(2)14(3)6-4-12(5-7-14)19-8-9-20-10-13(19)15(16,17)18/h11-13H,4-10H2,1-3H3/t12?,13-,14?/m1/s1.
What are the key properties of (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine?
(3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine has a molecular weight of 293.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine is sourced from PubChem (CID 170395408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).