3-[4-(trifluoromethyl)cyclohexyl]morpholine

C11H18F3NO — CID 149088087

IUPAC3-[4-(trifluoromethyl)cyclohexyl]morpholine
SMILESFC(F)(F)C1CCC(C2COCCN2)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
InChIKeyQQSHPEXEMTZORB-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.34
Rot. Bonds1

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

3-[4-(trifluoromethyl)cyclohexyl]morpholine (PubChem CID 149088087) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)cyclohexyl]morpholine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)cyclohexyl]morpholine
PubChem CID149088087
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-[4-(trifluoromethyl)cyclohexyl]morpholine
SMILESFC(F)(F)C1CCC(C2COCCN2)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
InChIKeyQQSHPEXEMTZORB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)cyclohexyl]morpholine?
The IUPAC name of 3-[4-(trifluoromethyl)cyclohexyl]morpholine (CID 149088087) is 3-[4-(trifluoromethyl)cyclohexyl]morpholine.
What is the SMILES notation for 3-[4-(trifluoromethyl)cyclohexyl]morpholine?
The canonical SMILES for 3-[4-(trifluoromethyl)cyclohexyl]morpholine is FC(F)(F)C1CCC(C2COCCN2)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)cyclohexyl]morpholine?
The InChIKey is QQSHPEXEMTZORB-UHFFFAOYSA-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.
What are the key properties of 3-[4-(trifluoromethyl)cyclohexyl]morpholine?
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 3-[4-(trifluoromethyl)cyclohexyl]morpholine is sourced from PubChem (CID 149088087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).