4-tert-butyl-2-fluoromorpholine

C8H16FNO — CID 168840336

IUPAC4-tert-butyl-2-fluoromorpholine
SMILESCC(C)(C)N1CCOC(F)C1
InChIInChI=1S/C8H16FNO/c1-8(2,3)10-4-5-11-7(9)6-10/h7H,4-6H2,1-3H3
InChIKeyPOLOYJDZCHSSHP-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.41
Rot. Bonds

About 4-tert-butyl-2-fluoromorpholine

4-tert-butyl-2-fluoromorpholine (PubChem CID 168840336) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoromorpholine.

Molecular Properties

Compound Name4-tert-butyl-2-fluoromorpholine
PubChem CID168840336
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-tert-butyl-2-fluoromorpholine
SMILESCC(C)(C)N1CCOC(F)C1
InChIInChI=1S/C8H16FNO/c1-8(2,3)10-4-5-11-7(9)6-10/h7H,4-6H2,1-3H3
InChIKeyPOLOYJDZCHSSHP-UHFFFAOYSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoromorpholine?
The IUPAC name of 4-tert-butyl-2-fluoromorpholine (CID 168840336) is 4-tert-butyl-2-fluoromorpholine.
What is the SMILES notation for 4-tert-butyl-2-fluoromorpholine?
The canonical SMILES for 4-tert-butyl-2-fluoromorpholine is CC(C)(C)N1CCOC(F)C1.
What is the InChIKey of 4-tert-butyl-2-fluoromorpholine?
The InChIKey is POLOYJDZCHSSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(2,3)10-4-5-11-7(9)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-2-fluoromorpholine?
4-tert-butyl-2-fluoromorpholine has a molecular weight of 161.22 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoromorpholine is sourced from PubChem (CID 168840336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).