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

C17H20F3N5O — CID 3925233

IUPAC4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine
SMILESFC(F)(F)c1cccc(-n2nnnc2C2(N3CCOCC3)CCCC2)c1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)13-4-3-5-14(12-13)25-15(21-22-23-25)16(6-1-2-7-16)24-8-10-26-11-9-24/h3-5,12H,1-2,6-11H2
InChIKeyILEPBFSPOBRQFI-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.78
Rot. Bonds3

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

4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine (PubChem CID 3925233) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine
PubChem CID3925233
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine
SMILESFC(F)(F)c1cccc(-n2nnnc2C2(N3CCOCC3)CCCC2)c1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)13-4-3-5-14(12-13)25-15(21-22-23-25)16(6-1-2-7-16)24-8-10-26-11-9-24/h3-5,12H,1-2,6-11H2
InChIKeyILEPBFSPOBRQFI-UHFFFAOYSA-N
XLogP2.78
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.78
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]cyclopentyl]morpholine?
The IUPAC name of 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine (CID 3925233) is 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine.
What is the SMILES notation for 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine?
The canonical SMILES for 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine is FC(F)(F)c1cccc(-n2nnnc2C2(N3CCOCC3)CCCC2)c1.
What is the InChIKey of 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine?
The InChIKey is ILEPBFSPOBRQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c18-17(19,20)13-4-3-5-14(12-13)25-15(21-22-23-25)16(6-1-2-7-16)24-8-10-26-11-9-24/h3-5,12H,1-2,6-11H2.
What are the key properties of 4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine?
4-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]morpholine has a molecular weight of 367.38 g/mol, XLogP of 2.78, 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]cyclopentyl]morpholine is sourced from PubChem (CID 3925233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).