4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine

C18H22F3N5O — CID 3104507

IUPAC4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine
SMILESFC(F)(F)c1cccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C18H22F3N5O/c19-18(20,21)14-5-4-6-15(13-14)26-16(22-23-24-26)17(7-2-1-3-8-17)25-9-11-27-12-10-25/h4-6,13H,1-3,7-12H2
InChIKeyMCRKXWIDGORZBM-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.17
Rot. Bonds3

About 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine

4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine (PubChem CID 3104507) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine
PubChem CID3104507
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine
SMILESFC(F)(F)c1cccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C18H22F3N5O/c19-18(20,21)14-5-4-6-15(13-14)26-16(22-23-24-26)17(7-2-1-3-8-17)25-9-11-27-12-10-25/h4-6,13H,1-3,7-12H2
InChIKeyMCRKXWIDGORZBM-UHFFFAOYSA-N
XLogP3.17
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine?
The IUPAC name of 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine (CID 3104507) is 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine?
The canonical SMILES for 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine is FC(F)(F)c1cccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)c1.
What is the InChIKey of 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine?
The InChIKey is MCRKXWIDGORZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c19-18(20,21)14-5-4-6-15(13-14)26-16(22-23-24-26)17(7-2-1-3-8-17)25-9-11-27-12-10-25/h4-6,13H,1-3,7-12H2.
What are the key properties of 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine?
4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine has a molecular weight of 381.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclohexyl]morpholine is sourced from PubChem (CID 3104507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).