4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine

C11H15F2NO — CID 70924381

IUPAC4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine
SMILESFC1C=CC(CN2CCOCC2)=CC1F
InChIInChI=1S/C11H15F2NO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7,10-11H,3-6,8H2
InChIKeyUXKXYRUSBPQTMU-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.49
Rot. Bonds2

About 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine

4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine (PubChem CID 70924381) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine
PubChem CID70924381
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine
SMILESFC1C=CC(CN2CCOCC2)=CC1F
InChIInChI=1S/C11H15F2NO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7,10-11H,3-6,8H2
InChIKeyUXKXYRUSBPQTMU-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-Morpholinylmethyl)phenyl]magnesium bromide
CID 16217253
2-[(4-Morpholino)methyl]phenylmagnesium Bromide, 0.25 M in 2-MeTHF
CID 16217254
(4-(4-Morpholinylmethyl)phenyl)magnesium bromide
CID 24722692
(e)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149
Magnesium bromide 3-[(morpholin-4-yl)methyl]benzen-1-ide (1/1/1)
CID 17749205
Magnesium bromide 2-[(morpholin-4-yl)methyl]benzen-1-ide (1/1/1)
CID 54711288
4-(2-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 141053452
4-[[6-(Trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]morpholine
CID 141330355
4-[(4-Fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine
CID 163416044
4-[2,6-difluoro-4-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]morpholine
CID 164165311
4-[(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 167101631

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine?
The IUPAC name of 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine (CID 70924381) is 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine is FC1C=CC(CN2CCOCC2)=CC1F.
What is the InChIKey of 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine?
The InChIKey is UXKXYRUSBPQTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14/h1-2,7,10-11H,3-6,8H2.
What are the key properties of 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine?
4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine has a molecular weight of 215.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 70924381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).