4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine

C11H15F2NO — CID 118618025

IUPAC4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
SMILESCC1C(F)=CC(N2CCOCC2)=CC1F
InChIInChI=1S/C11H15F2NO/c1-8-10(12)6-9(7-11(8)13)14-2-4-15-5-3-14/h6-8,10H,2-5H2,1H3
InChIKeyXGFUKLYFIAJPPF-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.04
Rot. Bonds1

About 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine

4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine (PubChem CID 118618025) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
PubChem CID118618025
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
SMILESCC1C(F)=CC(N2CCOCC2)=CC1F
InChIInChI=1S/C11H15F2NO/c1-8-10(12)6-9(7-11(8)13)14-2-4-15-5-3-14/h6-8,10H,2-5H2,1H3
InChIKeyXGFUKLYFIAJPPF-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine?
The IUPAC name of 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine (CID 118618025) is 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine.
What is the SMILES notation for 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine?
The canonical SMILES for 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine is CC1C(F)=CC(N2CCOCC2)=CC1F.
What is the InChIKey of 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine?
The InChIKey is XGFUKLYFIAJPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8-10(12)6-9(7-11(8)13)14-2-4-15-5-3-14/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine?
4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine has a molecular weight of 215.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine is sourced from PubChem (CID 118618025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).