5-(3-fluorobutyl)-2-propan-2-ylmorpholine

C11H22FNO — CID 178173140

IUPAC5-(3-fluorobutyl)-2-propan-2-ylmorpholine
SMILESCC(F)CCC1COC(C(C)C)CN1
InChIInChI=1S/C11H22FNO/c1-8(2)11-6-13-10(7-14-11)5-4-9(3)12/h8-11,13H,4-7H2,1-3H3
InChIKeyWPUZKYGSGGXQBX-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.14
Rot. Bonds4

About 5-(3-fluorobutyl)-2-propan-2-ylmorpholine

5-(3-fluorobutyl)-2-propan-2-ylmorpholine (PubChem CID 178173140) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 5-(3-fluorobutyl)-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name5-(3-fluorobutyl)-2-propan-2-ylmorpholine
PubChem CID178173140
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name5-(3-fluorobutyl)-2-propan-2-ylmorpholine
SMILESCC(F)CCC1COC(C(C)C)CN1
InChIInChI=1S/C11H22FNO/c1-8(2)11-6-13-10(7-14-11)5-4-9(3)12/h8-11,13H,4-7H2,1-3H3
InChIKeyWPUZKYGSGGXQBX-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorobutyl)-2-propan-2-ylmorpholine?
The IUPAC name of 5-(3-fluorobutyl)-2-propan-2-ylmorpholine (CID 178173140) is 5-(3-fluorobutyl)-2-propan-2-ylmorpholine.
What is the SMILES notation for 5-(3-fluorobutyl)-2-propan-2-ylmorpholine?
The canonical SMILES for 5-(3-fluorobutyl)-2-propan-2-ylmorpholine is CC(F)CCC1COC(C(C)C)CN1.
What is the InChIKey of 5-(3-fluorobutyl)-2-propan-2-ylmorpholine?
The InChIKey is WPUZKYGSGGXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-8(2)11-6-13-10(7-14-11)5-4-9(3)12/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 5-(3-fluorobutyl)-2-propan-2-ylmorpholine?
5-(3-fluorobutyl)-2-propan-2-ylmorpholine has a molecular weight of 203.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorobutyl)-2-propan-2-ylmorpholine is sourced from PubChem (CID 178173140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).