(3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine

C11H18F3NO — CID 156872282

IUPAC(3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine
SMILESFC(F)(F)C1CCC([C@H]2COCCN2)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h8-10,15H,1-7H2/t8?,9?,10-/m1/s1
InChIKeyQQSHPEXEMTZORB-UDNWOFFPSA-N
MW237.26 g/mol
LogP2.34
Rot. Bonds1

About (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine

(3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine (PubChem CID 156872282) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine
PubChem CID156872282
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name(3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine
SMILESFC(F)(F)C1CCC([C@H]2COCCN2)CC1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h8-10,15H,1-7H2/t8?,9?,10-/m1/s1
InChIKeyQQSHPEXEMTZORB-UDNWOFFPSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclohexylmorpholine hydrochloride
CID 154832834
2-(1-Fluorocyclohexyl)morpholine
CID 20085728
2-(1,2,2,3,3,4,4,5,5,6,6-Undecafluorocyclohexyl)morpholine
CID 20085729
2-[(1-Fluorocyclohexyl)methyl]morpholine
CID 21475576
3-Cyclohexylmorpholine
CID 54373245
N-[4-(trifluoromethyl)cyclohexyl]oxan-3-amine
CID 64175790
2-Cyclohexyl-2-fluoromorpholine
CID 67943994
5-(2,2,2-Trifluoroethoxy)-3-azaspiro[5.5]undecane
CID 89704683
N-[4-(difluoromethyl)cyclohexyl]oxan-3-amine
CID 128257958
N-[(4,4-difluorocyclohexyl)methyl]oxan-3-amine
CID 128268753
(3S)-N-[4-(difluoromethyl)cyclohexyl]oxan-3-amine
CID 128401873
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine?
The IUPAC name of (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine (CID 156872282) is (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine.
What is the SMILES notation for (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine?
The canonical SMILES for (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine is FC(F)(F)C1CCC([C@H]2COCCN2)CC1.
What is the InChIKey of (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine?
The InChIKey is QQSHPEXEMTZORB-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h8-10,15H,1-7H2/t8?,9?,10-/m1/s1.
What are the key properties of (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine?
(3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine has a molecular weight of 237.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(trifluoromethyl)cyclohexyl]morpholine is sourced from PubChem (CID 156872282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).