tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate

C14H25F3N2O3 — CID 103554402

IUPACtert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)CCCC(F)(F)F
InChIInChI=1S/C14H25F3N2O3/c1-13(2,3)22-12(20)19-7-8-21-9-11(19)10(18)5-4-6-14(15,16)17/h10-11H,4-9,18H2,1-3H3
InChIKeyXFJMNGXCBPHZHQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate

tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate (PubChem CID 103554402) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate
PubChem CID103554402
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Nametert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)CCCC(F)(F)F
InChIInChI=1S/C14H25F3N2O3/c1-13(2,3)22-12(20)19-7-8-21-9-11(19)10(18)5-4-6-14(15,16)17/h10-11H,4-9,18H2,1-3H3
InChIKeyXFJMNGXCBPHZHQ-UHFFFAOYSA-N
XLogP2.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate (CID 103554402) is tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(N)CCCC(F)(F)F.
What is the InChIKey of tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate?
The InChIKey is XFJMNGXCBPHZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-13(2,3)22-12(20)19-7-8-21-9-11(19)10(18)5-4-6-14(15,16)17/h10-11H,4-9,18H2,1-3H3.
What are the key properties of tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate?
tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate has a molecular weight of 326.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-amino-5,5,5-trifluoropentyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).