2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine

C14H19F2NO — CID 61251730

IUPAC2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine
SMILESCC(C)CC1COC(c2ccc(F)c(F)c2)CN1
InChIInChI=1S/C14H19F2NO/c1-9(2)5-11-8-18-14(7-17-11)10-3-4-12(15)13(16)6-10/h3-4,6,9,11,14,17H,5,7-8H2,1-2H3
InChIKeyBZJSUKUGYINYOX-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.04
Rot. Bonds3

About 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine

2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine (PubChem CID 61251730) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine
PubChem CID61251730
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine
SMILESCC(C)CC1COC(c2ccc(F)c(F)c2)CN1
InChIInChI=1S/C14H19F2NO/c1-9(2)5-11-8-18-14(7-17-11)10-3-4-12(15)13(16)6-10/h3-4,6,9,11,14,17H,5,7-8H2,1-2H3
InChIKeyBZJSUKUGYINYOX-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine (CID 61251730) is 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine is CC(C)CC1COC(c2ccc(F)c(F)c2)CN1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine?
The InChIKey is BZJSUKUGYINYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(2)5-11-8-18-14(7-17-11)10-3-4-12(15)13(16)6-10/h3-4,6,9,11,14,17H,5,7-8H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine?
2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine has a molecular weight of 255.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine is sourced from PubChem (CID 61251730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).