4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine

C12H23F2NO — CID 166800110

IUPAC4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine
SMILESCC(C)CCCC1CN(CC(F)F)CCO1
InChIInChI=1S/C12H23F2NO/c1-10(2)4-3-5-11-8-15(6-7-16-11)9-12(13)14/h10-12H,3-9H2,1-2H3
InChIKeyWFFWRBDUZFLIFK-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.78
Rot. Bonds6

About 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine

4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine (PubChem CID 166800110) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine
PubChem CID166800110
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine
SMILESCC(C)CCCC1CN(CC(F)F)CCO1
InChIInChI=1S/C12H23F2NO/c1-10(2)4-3-5-11-8-15(6-7-16-11)9-12(13)14/h10-12H,3-9H2,1-2H3
InChIKeyWFFWRBDUZFLIFK-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine?
The IUPAC name of 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine (CID 166800110) is 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine?
The canonical SMILES for 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine is CC(C)CCCC1CN(CC(F)F)CCO1.
What is the InChIKey of 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine?
The InChIKey is WFFWRBDUZFLIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-10(2)4-3-5-11-8-15(6-7-16-11)9-12(13)14/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine?
4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine has a molecular weight of 235.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-2-(4-methylpentyl)morpholine is sourced from PubChem (CID 166800110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).