6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine

C15H21F2NO — CID 66179735

IUPAC6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine
SMILESCC(C)CC1(C)CNCC(c2ccc(F)c(F)c2)O1
InChIInChI=1S/C15H21F2NO/c1-10(2)7-15(3)9-18-8-14(19-15)11-4-5-12(16)13(17)6-11/h4-6,10,14,18H,7-9H2,1-3H3
InChIKeyHKFVREQOSCNVFD-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.43
Rot. Bonds3

About 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine

6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine (PubChem CID 66179735) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine
PubChem CID66179735
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine
SMILESCC(C)CC1(C)CNCC(c2ccc(F)c(F)c2)O1
InChIInChI=1S/C15H21F2NO/c1-10(2)7-15(3)9-18-8-14(19-15)11-4-5-12(16)13(17)6-11/h4-6,10,14,18H,7-9H2,1-3H3
InChIKeyHKFVREQOSCNVFD-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine?
The IUPAC name of 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine (CID 66179735) is 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine is CC(C)CC1(C)CNCC(c2ccc(F)c(F)c2)O1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine?
The InChIKey is HKFVREQOSCNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(2)7-15(3)9-18-8-14(19-15)11-4-5-12(16)13(17)6-11/h4-6,10,14,18H,7-9H2,1-3H3.
What are the key properties of 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine?
6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine has a molecular weight of 269.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine is sourced from PubChem (CID 66179735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).